Organoheterocyclic compounds

Organoheterocyclic compounds










Thermo Scientific Alfa Aesar Dihydroergocristine methanesulfonate, Thermo Scientific Chemicals
CAS: 24730-10-7 Molecular Formula: C36H45N5O8S Molecular Weight (g/mol): 707.843 MDL Number: MFCD00153792 InChI Key: SPXACGZWWVIDGR-SPZWACKZSA-N Synonym: dihydroergocristine mesylate,dihydroergocristinmesilat,unii-ds7cl18uam,dihydroergocristine mesilate,9,10-dihydroergocristine methanesulfonate,ds7cl18uam,dihydroergocristine methanesulfonate,dihydroergocristine methanesulfonate salt,5'alpha-benzyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate,diertine tn PubChem CID: 444034 ChEBI: CHEBI:31490 SMILES: CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O
PubChem CID | 444034 |
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CAS | 24730-10-7 |
Molecular Weight (g/mol) | 707.843 |
ChEBI | CHEBI:31490 |
MDL Number | MFCD00153792 |
SMILES | CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O |
Synonym | dihydroergocristine mesylate,dihydroergocristinmesilat,unii-ds7cl18uam,dihydroergocristine mesilate,9,10-dihydroergocristine methanesulfonate,ds7cl18uam,dihydroergocristine methanesulfonate,dihydroergocristine methanesulfonate salt,5'alpha-benzyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate,diertine tn |
InChI Key | SPXACGZWWVIDGR-SPZWACKZSA-N |
Molecular Formula | C36H45N5O8S |
Thermo Scientific Alfa Aesar Dihydroergotamine methanesulfonate, Thermo Scientific Chemicals
CAS: 6190-39-2 Molecular Formula: C34H41N5O8S Molecular Weight (g/mol): 679.79 MDL Number: MFCD00058615 InChI Key: ADYPXRFPBQGGAH-UMYZUSPBSA-N Synonym: dihydroergotamine mesylate,dihydroergotamine methanesulfonate salt,dihydroergotoxine,prestwick_746,dihydroergotamine methanesulfonate salt, powder,dihydroergotamine mesilate, european pharmacopoeia ep reference standard,dihydroergotamine for peak identification, european pharmacopoeia ep reference standard,dihydroergotamine mesylate, united states pharmacopeia usp reference standard,4r,7r-n-1s,2s,4r,7s-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo 7.3.0.0^ 2,6 dodecan-4-yl-6-methyl-6,11-diazatetracyclo 7.6.1.0^ 2,7 .0^ 12,16 hexadeca-1 15 ,9,12 16 ,13-tetraene-4-carboxamide; methanesulfonic acid,6ar,9r-n-2r,5s,10as,10bs-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8h-oxazolo 3,2-a pyrrolo 2,1-c pyrazin-2-yl-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo 4,3-fg quinoline-9-carboxamide methanesulfonate PubChem CID: 6420006 IUPAC Name: (2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; methanesulfonic acid SMILES: CS(O)(=O)=O.CN1C[C@@H](C[C@H]2[C@H]1CC1=CNC3=CC=CC2=C13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC3=CC=CC=C3)N2C1=O
PubChem CID | 6420006 |
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CAS | 6190-39-2 |
Molecular Weight (g/mol) | 679.79 |
MDL Number | MFCD00058615 |
SMILES | CS(O)(=O)=O.CN1C[C@@H](C[C@H]2[C@H]1CC1=CNC3=CC=CC2=C13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC3=CC=CC=C3)N2C1=O |
Synonym | dihydroergotamine mesylate,dihydroergotamine methanesulfonate salt,dihydroergotoxine,prestwick_746,dihydroergotamine methanesulfonate salt, powder,dihydroergotamine mesilate, european pharmacopoeia ep reference standard,dihydroergotamine for peak identification, european pharmacopoeia ep reference standard,dihydroergotamine mesylate, united states pharmacopeia usp reference standard,4r,7r-n-1s,2s,4r,7s-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo 7.3.0.0^ 2,6 dodecan-4-yl-6-methyl-6,11-diazatetracyclo 7.6.1.0^ 2,7 .0^ 12,16 hexadeca-1 15 ,9,12 16 ,13-tetraene-4-carboxamide; methanesulfonic acid,6ar,9r-n-2r,5s,10as,10bs-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8h-oxazolo 3,2-a pyrrolo 2,1-c pyrazin-2-yl-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo 4,3-fg quinoline-9-carboxamide methanesulfonate |
IUPAC Name | (2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; methanesulfonic acid |
InChI Key | ADYPXRFPBQGGAH-UMYZUSPBSA-N |
Molecular Formula | C34H41N5O8S |
Thermo Scientific Alfa Aesar 1-n-Butyl-3-methylimidazolium methanesulfonate, 99%, Thermo Scientific Chemicals
CAS: 342789-81-5 Molecular Formula: C9H18N2O3S Molecular Weight (g/mol): 234.314 MDL Number: MFCD06798173 InChI Key: PUHVBRXUKOGSBC-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium methanesulfonate,1-butyl-3-methylimidazolium mesylate,acmc-20aowi,c4mim mesylate,basionics™ st 78,dsstox_cid_27888,dsstox_rid_82641,dsstox_gsid_47912,1-butyl-3-methylimidazolium methylsulfonate,1-n-butyl-3-methylimidazolium methanesulfonate PubChem CID: 11492381 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;methanesulfonate SMILES: CCCCN1C=C[N+](=C1)C.CS(=O)(=O)[O-]
PubChem CID | 11492381 |
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CAS | 342789-81-5 |
Molecular Weight (g/mol) | 234.314 |
MDL Number | MFCD06798173 |
SMILES | CCCCN1C=C[N+](=C1)C.CS(=O)(=O)[O-] |
Synonym | 1-butyl-3-methylimidazolium methanesulfonate,1-butyl-3-methylimidazolium mesylate,acmc-20aowi,c4mim mesylate,basionics™ st 78,dsstox_cid_27888,dsstox_rid_82641,dsstox_gsid_47912,1-butyl-3-methylimidazolium methylsulfonate,1-n-butyl-3-methylimidazolium methanesulfonate |
IUPAC Name | 1-butyl-3-methylimidazol-3-ium;methanesulfonate |
InChI Key | PUHVBRXUKOGSBC-UHFFFAOYSA-M |
Molecular Formula | C9H18N2O3S |
Medchem Express Tariquidar methanesulfonate, hydrate, MedChemExpress
MedChemExpress Tariquidar methanesulfonate, hydrate (XR9576 methanesulfonate, hydrate) is a potent and specific inhibitor of P-glycoprotein (P-gp) with a Kd of 5.1 nM.

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Molecular Weight (g/mol) | 892.99 |
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Color | Yellow |
Physical Form | Solid |
Chemical Name or Material | Tariquidar methanesulfonate, hydrate |
Grade | Research |
SMILES | O=C(C1=CC2=CC=CC=C2N=C1)NC3=CC(OC)=C(OC)C=C3C(NC4=CC=C(CCN5CC6=C(C=C(OC)C(OC)=C6)CC5)C=C4)=O.CS(=O)(O)=O.CS(=O)(O)=O.O.O.O |
For Use With (Application) | Cancer-programmed cell death |
Percent Purity | 98.38% |
CAS | 625375-83-9 |
Solubility Information | DMSO : ≥ 296 mg/mL (331.47 mM) ∣H2O : 5 mg/mL (5.60 mM; Need ultrasonic) |
Synonym | XR9576 methanesulfonate, hydrate |
Purity Grade Notes | Research |
Recommended Storage | 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture) |
Shelf Life | 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture) |
Molecular Formula | C40H52N4O15S2 |
Formula Weight | 892.99 |
Thermo Scientific Chemicals Imatinib mesylate, 98%
CAS: 220127-57-1 Molecular Formula: C30H35N7O4S Molecular Weight (g/mol): 589.72 MDL Number: MFCD04307699 InChI Key: YLMAHDNUQAMNNX-UHFFFAOYSA-N Synonym: imatinib mesylate,gleevec,glivec,imatinib mesilate,imatinib methanesulfonate,imatinib mesylate sti571,imatinib monomesylate,unii-8a1o1m485b,imatinib, methanesulfonate salt PubChem CID: 123596 ChEBI: CHEBI:31690 IUPAC Name: methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide SMILES: CS(O)(=O)=O.CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC=CC(=N3)C3=CC=CN=C3)=C2)CC1
PubChem CID | 123596 |
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CAS | 220127-57-1 |
Molecular Weight (g/mol) | 589.72 |
ChEBI | CHEBI:31690 |
MDL Number | MFCD04307699 |
SMILES | CS(O)(=O)=O.CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC=CC(=N3)C3=CC=CN=C3)=C2)CC1 |
Synonym | imatinib mesylate,gleevec,glivec,imatinib mesilate,imatinib methanesulfonate,imatinib mesylate sti571,imatinib monomesylate,unii-8a1o1m485b,imatinib, methanesulfonate salt |
IUPAC Name | methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide |
InChI Key | YLMAHDNUQAMNNX-UHFFFAOYSA-N |
Molecular Formula | C30H35N7O4S |
Tocris Phenamil, Tocris Bioscience™
CAS: 1161-94-0 Molecular Formula: C13H16ClN7O4S Molecular Weight (g/mol): 401.826 InChI Key: MHPIZTURFVSLTJ-UHFFFAOYSA-N Synonym: phenamil methanesulfonate,phenamil methanesulfonate salt,3,5-diamino-6-chloro-n-imino phenylamino methyl pyrazinecarboxamide methanesulfonate salt,lopac-p-203,phenamil methanesulfonate salt, solid,phenamil methanesulfonate free base,3,5-diamino-6-chloro-n-n-phenylcarbamimidoyl pyrazine-2-carboxamide methanesulfonate,3,5-diamino-6-chloro-n-imino phenylamino methyl-pyrazinecarboxamide methansulfonate PubChem CID: 9604979 IUPAC Name: 3,5-diamino-N-[amino(anilino)methylidene]-6-chloropyrazine-2-carboxamide;methanesulfonic acid SMILES: CS(=O)(=O)O.C1=CC=C(C=C1)NC(=NC(=O)C2=C(N=C(C(=N2)Cl)N)N)N
PubChem CID | 9604979 |
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CAS | 1161-94-0 |
Molecular Weight (g/mol) | 401.826 |
SMILES | CS(=O)(=O)O.C1=CC=C(C=C1)NC(=NC(=O)C2=C(N=C(C(=N2)Cl)N)N)N |
Synonym | phenamil methanesulfonate,phenamil methanesulfonate salt,3,5-diamino-6-chloro-n-imino phenylamino methyl pyrazinecarboxamide methanesulfonate salt,lopac-p-203,phenamil methanesulfonate salt, solid,phenamil methanesulfonate free base,3,5-diamino-6-chloro-n-n-phenylcarbamimidoyl pyrazine-2-carboxamide methanesulfonate,3,5-diamino-6-chloro-n-imino phenylamino methyl-pyrazinecarboxamide methansulfonate |
IUPAC Name | 3,5-diamino-N-[amino(anilino)methylidene]-6-chloropyrazine-2-carboxamide;methanesulfonic acid |
InChI Key | MHPIZTURFVSLTJ-UHFFFAOYSA-N |
Molecular Formula | C13H16ClN7O4S |
Tocris Trovafloxacin mesylate, Tocris Bioscience™
CAS: 147059-75-4 Molecular Formula: C21H19F3N4O6S Molecular Weight (g/mol): 512.46 InChI Key: DYNZICQDCVYXFW-GIPYJWDTSA-N Synonym: trovafloxacin mesylate,trovan,trovafloxacin monomethanesulfonate,trovafloxacin methanesulfonate,unii-0p1lko80wn,0p1lko80wn,trovafloxacin mesylate usan,trovan tn,trovafloxacin mesilate,dsstox_cid_25701 PubChem CID: 62960 IUPAC Name: 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid SMILES: CS(=O)(=O)O.C1C2C(C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F
PubChem CID | 62960 |
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CAS | 147059-75-4 |
Molecular Weight (g/mol) | 512.46 |
SMILES | CS(=O)(=O)O.C1C2C(C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F |
Synonym | trovafloxacin mesylate,trovan,trovafloxacin monomethanesulfonate,trovafloxacin methanesulfonate,unii-0p1lko80wn,0p1lko80wn,trovafloxacin mesylate usan,trovan tn,trovafloxacin mesilate,dsstox_cid_25701 |
IUPAC Name | 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid |
InChI Key | DYNZICQDCVYXFW-GIPYJWDTSA-N |
Molecular Formula | C21H19F3N4O6S |
Medchem Express Pergolide mesylate, MedChemExpress
MedChemExpress Pergolide mesylate (Pergolide methanesulfonate), an Ergoline derivative, is a potent and orally active dopamine D1 and D2 receptors agonist. Pergolide mesylate can be used for Parkinson's disease and hyperprolactinaemia research.

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Molecular Weight (g/mol) | 410.59 |
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Color | White |
Physical Form | Solid |
Chemical Name or Material | Pergolide mesylate |
Grade | Research |
SMILES | [H][C@@]1(N(CCC)C[C@H](CSC)C[C@@]12[H])CC3=CNC4=CC=CC2=C43.CS(=O)(O)=O |
For Use With (Application) | Neuroscience-Neurodegeneration |
Percent Purity | 99.45% |
CAS | 66104-23-2 |
Solubility Information | DMSO : ≥ 25 mg/mL (60.89 mM) |
Health Hazard 1 | H300 |
Synonym | Pergolide methanesulfonate LY127809 |
Purity Grade Notes | Research |
Recommended Storage | 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture) |
Shelf Life | 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture) |
Molecular Formula | C20H30N2O3S2 |
Formula Weight | 410.59 |
Medchem Express Ro 31-8220 mesylate, MedChemExpress
MedChemExpress Ro 31-8220 mesylate is a potent PKC inhibitor, with IC50s of 5, 24, 14, 27, 24 and 23 nM for PKCα, PKCβI, PKCβII, PKCγ, PKCε and rat brain PKC, respectively. Ro 31-8220 also significantly inhibits MAPKAP-K1b, MSK1, S6K1 and GSK3β (IC50s, 3, 8, 15, and 38 nM, respectively), with no effect on MKK3, MKK4, MKK6 and MKK7.

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Molecular Weight (g/mol) | 553.65 |
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Color | Orange |
Physical Form | Solid |
Chemical Name or Material | Ro 31-8220 mesylate |
Grade | Research |
SMILES | NC(SCCCN1C=C(C2=C(C3=CN(C)C4=C3C=CC=C4)C(NC2=O)=O)C5=C1C=CC=C5)=N.CS(=O)(O)=O |
For Use With (Application) | Cancer-Kinase/protease |
Percent Purity | 98.0% |
CAS | 138489-18-6 |
Solubility Information | DMSO : 35.71 mg/mL (64.50 mM; Need ultrasonic) ∣H2O : < 0.1 mg/mL (insoluble) |
Synonym | Ro 31-8220 methanesulfonate Bisindolylmaleimide IX mesylate |
Purity Grade Notes | Research |
Recommended Storage | 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture) |
Shelf Life | 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture) |
Molecular Formula | C26H27N5O5S2 |
Formula Weight | 553.65 |
Medchem Express Dabigatran etexilate mesylate, MedChemExpress
MedChemExpress Dabigatran etexilate mesylate (BIBR 1048MS) is an orally active prodrug of Dabigatran (a direct inhibitor of thrombin). Dabigatran etexilate mesylate has anticoagulant effects and is used for the prophylaxis of venousthromboembolism and stroke due to atrial fibrillation.

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Molecular Weight (g/mol) | 723.84 |
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Color | Off-White |
Physical Form | Solid |
Chemical Name or Material | Dabigatran etexilate mesylate |
Grade | Research |
SMILES | O=C(N(C1=NC=CC=C1)CCC(OCC)=O)C2=CC=C3C(N=C(N3C)CNC4=CC=C(C(NC(OCCCCCC)=O)=N)C=C4)=C2.CS(=O)(O)=O |
For Use With (Application) | COVID-19-immunoregulation |
Percent Purity | 95.0% |
CAS | 872728-81-9 |
Solubility Information | DMSO : 50 mg/mL (69.08 mM; Need ultrasonic) |
Synonym | BIBR 1048MS Dabigatran etexilate methanesulfonate |
Purity Grade Notes | Research |
Recommended Storage | 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture) |
Shelf Life | 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture) |
Molecular Formula | C35H45N7O8S |
Formula Weight | 723.84 |
Thermo Scientific Alfa Aesar 4-Tetrahydropyranyl methanesulfonate, 95%, Thermo Scientific Chemicals
CAS: 134419-59-3 Molecular Formula: C6H12O4S Molecular Weight (g/mol): 180.218 MDL Number: MFCD11505063 InChI Key: GSEZHCLWHDZJAB-UHFFFAOYSA-N Synonym: tetrahydro-2h-pyran-4-yl methanesulfonate,2h-pyran-4-ol, tetrahydro-, methanesulfonate,acmc-20mvcv,4-oxanyl methanesulfonate,tetrahydropyran-4-ol methane sulfonate,tetrahydro-2h-pyran-4-ol methanesulfonate,tetrahydro-2h-pyran-4-yl methanesulphonate,methansulfonic acid tetrahydropyran-4-yl ester,methanesulfonic acid tetrahydropyran-4-yl ester PubChem CID: 11344352 IUPAC Name: oxan-4-yl methanesulfonate SMILES: CS(=O)(=O)OC1CCOCC1
PubChem CID | 11344352 |
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CAS | 134419-59-3 |
Molecular Weight (g/mol) | 180.218 |
MDL Number | MFCD11505063 |
SMILES | CS(=O)(=O)OC1CCOCC1 |
Synonym | tetrahydro-2h-pyran-4-yl methanesulfonate,2h-pyran-4-ol, tetrahydro-, methanesulfonate,acmc-20mvcv,4-oxanyl methanesulfonate,tetrahydropyran-4-ol methane sulfonate,tetrahydro-2h-pyran-4-ol methanesulfonate,tetrahydro-2h-pyran-4-yl methanesulphonate,methansulfonic acid tetrahydropyran-4-yl ester,methanesulfonic acid tetrahydropyran-4-yl ester |
IUPAC Name | oxan-4-yl methanesulfonate |
InChI Key | GSEZHCLWHDZJAB-UHFFFAOYSA-N |
Molecular Formula | C6H12O4S |
Thermo Scientific Alfa Aesar 1,2,3-Trimethylimidazolium methyl sulfate, 95%, Thermo Scientific™
CAS: 65086-12-6 Molecular Formula: C7H14N2O4S Molecular Weight (g/mol): 222.259 MDL Number: MFCD03788934 InChI Key: OUAUEIYYLHUEPK-UHFFFAOYSA-M Synonym: 1,2,3-trimethylimidazolium methyl sulfate,basionic tm st 99,1,2,3-trimethylimidazol-1-ium methyl sulfate 1-,basionics™ st 99,1,2,3-trimethylimidazolium methanesulfonate,1,2,3-trimethylimidazolium methyl sulfate, basf quality PubChem CID: 11579446 IUPAC Name: methyl sulfate;1,2,3-trimethylimidazol-1-ium SMILES: CC1=[N+](C=CN1C)C.COS(=O)(=O)[O-]
PubChem CID | 11579446 |
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CAS | 65086-12-6 |
Molecular Weight (g/mol) | 222.259 |
MDL Number | MFCD03788934 |
SMILES | CC1=[N+](C=CN1C)C.COS(=O)(=O)[O-] |
Synonym | 1,2,3-trimethylimidazolium methyl sulfate,basionic tm st 99,1,2,3-trimethylimidazol-1-ium methyl sulfate 1-,basionics™ st 99,1,2,3-trimethylimidazolium methanesulfonate,1,2,3-trimethylimidazolium methyl sulfate, basf quality |
IUPAC Name | methyl sulfate;1,2,3-trimethylimidazol-1-ium |
InChI Key | OUAUEIYYLHUEPK-UHFFFAOYSA-M |
Molecular Formula | C7H14N2O4S |