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Benzimidazoler

Aromatiske organiske heterocykliske forbindelser, der består af benzen fusioneret med en imidazol; imidazoler er en diazol med ikke-tilstødende nitrogenatomer.
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1

Thermo Scientific Chemicals Omeprazol, 98+%

CAS: 73590-58-6 Molekylær formel: C17H19N3O3S Molekylvægt (g/mol): 345.42 InChI nøgle: SUBDBMMJDZJVOS-UHFFFAOYSA-N Synonym: omeprazole,losec,prilosec,antra,esomeprazole,omeprazon,audazol,omapren,omepral,parizac PubChem CID: 4594 ChEBI: CHEBI:77260 IUPAC navn: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazol SMIL: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC

PubChem CID 4594
Molekylvægt (g/mol) 345.42
CAS 73590-58-6
ChEBI CHEBI:77260
Synonym omeprazole,losec,prilosec,antra,esomeprazole,omeprazon,audazol,omapren,omepral,parizac
SMIL CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC
IUPAC navn 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazol
InChI nøgle SUBDBMMJDZJVOS-UHFFFAOYSA-N
Molekylær formel C17H19N3O3S
2

(S)-(-)-Pantoprazol natriumsalt, TRC

CAS: 160488-53-9 Molekylær formel: C16 H14 F2 N3 O4 S . Na Molekylvægt (g/mol): 405.35 Synonym: 1H-Benzimidazole, 6-(difluoromethoxy)-2-[(S)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1),1H-Benzimidazole, 5-(difluoromethoxy)-2-[(S)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (9CI),(S)-(-)-Pantoprazole sodium salt IUPAC navn: sodium;5-(difluoromethoxy)-2-[(S)-(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide SMIL: [Na+].COc1ccnc(C[S@](=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC

Molekylvægt (g/mol) 405.35
CAS 160488-53-9
Synonym 1H-Benzimidazole, 6-(difluoromethoxy)-2-[(S)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1),1H-Benzimidazole, 5-(difluoromethoxy)-2-[(S)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (9CI),(S)-(-)-Pantoprazole sodium salt
SMIL [Na+].COc1ccnc(C[S@](=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC
IUPAC navn sodium;5-(difluoromethoxy)-2-[(S)-(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
Molekylær formel C16 H14 F2 N3 O4 S . Na
4

Pantoprazol natriumsalthydrat

CAS: 718635-09-7 Molekylær formel: C16H14F2N3NaO4S Molekylvægt (g/mol): 405.35 MDL nummer: MFCD08704580 InChI nøgle: YNWDKZIIWCEDEE-UHFFFAOYNA-N Synonym: pantoprazole sodium,pantoprazole sodium hydrate,pantozol hydrate,protonix hydrate,c16h14f2n3nao4s.h2o,sodium pantoprazole 1-hydrate,pantoprazole sodium hydrate hplc,5-difluoromethoxy-2-3,4-dimethoxypyridin-2-yl methanesulfinyl-1-sodio-1,3-benzodiazole hydrate,5-difluoromethoxy-2-3,4-dimethoxy-2-pyridinyl methyl sulfinyl-1h-benzimidazole sodium salt hydrate PubChem CID: 23684923 IUPAC navn: natrium;5-(difluormethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-id;hydrat SMIL: [Na+].COC1=C(OC)C(CS(=O)C2=NC3=CC(OC(F)F)=CC=C3[N-]2)=NC=C1

MDL nummer MFCD08704580
PubChem CID 23684923
Molekylvægt (g/mol) 405.35
CAS 718635-09-7
Synonym pantoprazole sodium,pantoprazole sodium hydrate,pantozol hydrate,protonix hydrate,c16h14f2n3nao4s.h2o,sodium pantoprazole 1-hydrate,pantoprazole sodium hydrate hplc,5-difluoromethoxy-2-3,4-dimethoxypyridin-2-yl methanesulfinyl-1-sodio-1,3-benzodiazole hydrate,5-difluoromethoxy-2-3,4-dimethoxy-2-pyridinyl methyl sulfinyl-1h-benzimidazole sodium salt hydrate
SMIL [Na+].COC1=C(OC)C(CS(=O)C2=NC3=CC(OC(F)F)=CC=C3[N-]2)=NC=C1
IUPAC navn natrium;5-(difluormethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-id;hydrat
InChI nøgle YNWDKZIIWCEDEE-UHFFFAOYNA-N
Molekylær formel C16H14F2N3NaO4S
5

Albendazol, 98+%

CAS: 54965-21-8 Molekylær formel: C12H15N3O2S Molekylvægt (g/mol): 265.33 MDL nummer: MFCD00083232 InChI nøgle: HXHWSAZORRCQMX-UHFFFAOYSA-N Synonym: albendazole,albenza,eskazole,valbazen,zentel,albendazol,proftril,albendazolum,bilutac,zental PubChem CID: 2082 ChEBI: CHEBI:16664 IUPAC navn: methyl-N-(6-propylsulfanyl-lH-benzimidazol-2-yl)carbamat SMIL: CCCSC1=CC=C2N=C(NC(=O)OC)NC2=C1

MDL nummer MFCD00083232
PubChem CID 2082
Molekylvægt (g/mol) 265.33
CAS 54965-21-8
ChEBI CHEBI:16664
Synonym albendazole,albenza,eskazole,valbazen,zentel,albendazol,proftril,albendazolum,bilutac,zental
SMIL CCCSC1=CC=C2N=C(NC(=O)OC)NC2=C1
IUPAC navn methyl-N-(6-propylsulfanyl-lH-benzimidazol-2-yl)carbamat
InChI nøgle HXHWSAZORRCQMX-UHFFFAOYSA-N
Molekylær formel C12H15N3O2S
6

N-[3-Methyl-4-(2,2,2-trifluoretoxy)-2-pyridinyl]methyl Lansoprazol, TRC

CAS: 1083100-26-8 Molekylær formel: C25H22F6N4O3S Molekylvægt (g/mol): 572.52 Synonym: 1-[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole,Lansoprazole Impurity IUPAC navn: 1-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]benzimidazole SMIL: Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3n2Cc4nccc(OCC(F)(F)F)c4C

Molekylvægt (g/mol) 572.52
CAS 1083100-26-8
Synonym 1-[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole,Lansoprazole Impurity
SMIL Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3n2Cc4nccc(OCC(F)(F)F)c4C
IUPAC navn 1-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]benzimidazole
Molekylær formel C25H22F6N4O3S
7

6-(Difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-benzimidazol, TRC

CAS: 721924-06-7 Molekylær formel: C17H17F2N3O4S Molekylvægt (g/mol): 397.4 Synonym: Pantoprazole EP Impurity SMIL: COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3n2C)c1OC

Molekylvægt (g/mol) 397.4
CAS 721924-06-7
Synonym Pantoprazole EP Impurity
SMIL COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3n2C)c1OC
Molekylær formel C17H17F2N3O4S
8

4-Desmethoxy-4-chloro Omeprazol, TRC

CAS: 863029-89-4 Molekylær formel: C16 H16 Cl N3 O2 S Molekylvægt (g/mol): 349.84 Synonym: 2-[(RS)-[(4-Chloro-3,5-dimethylpyridin-2-yl)methyl]sulfinyl]-5-methoxy-1H-benzimidazole,Omeprazole Imp. H (EP) IUPAC navn: 2-[(4-chloro-3,5-dimethylpyridin-2-yl)methylsulfinyl]-5-methoxy-1H-benzimidazole SMIL: COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(C)c(Cl)c3C

Molekylvægt (g/mol) 349.84
CAS 863029-89-4
Synonym 2-[(RS)-[(4-Chloro-3,5-dimethylpyridin-2-yl)methyl]sulfinyl]-5-methoxy-1H-benzimidazole,Omeprazole Imp. H (EP)
SMIL COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(C)c(Cl)c3C
IUPAC navn 2-[(4-chloro-3,5-dimethylpyridin-2-yl)methylsulfinyl]-5-methoxy-1H-benzimidazole
Molekylær formel C16 H16 Cl N3 O2 S
9

Lansoprazol, TRC

CAS: 103577-45-3 Molekylær formel: C16 H14 F3 N3 O2 S Molekylvægt (g/mol): 369.36 Synonym: Lansoprazole,(±)-Lansoprazole,2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]-1H-benzimidazole,A 65006,AG 1749,Agopton,Ilsatec,Ketian,Lancid,Lanfast,Lanproton,Lansopep,Lansophed,Lanston,Lanz,Lanzol 30,Lanzopral,Lanzor,Lapraz,Ogast,Ogastro,PP/K-10,Prevacid,Promp,Prosogan,Suprecid,Takepron,Ulpax,Zoton IUPAC navn: 2-[[3-methyl-4-(2,2,2-trifluorethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazol SMIL: Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3[nH]2

Molekylvægt (g/mol) 369.36
CAS 103577-45-3
Synonym Lansoprazole,(±)-Lansoprazole,2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]-1H-benzimidazole,A 65006,AG 1749,Agopton,Ilsatec,Ketian,Lancid,Lanfast,Lanproton,Lansopep,Lansophed,Lanston,Lanz,Lanzol 30,Lanzopral,Lanzor,Lapraz,Ogast,Ogastro,PP/K-10,Prevacid,Promp,Prosogan,Suprecid,Takepron,Ulpax,Zoton
SMIL Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3[nH]2
IUPAC navn 2-[[3-methyl-4-(2,2,2-trifluorethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazol
Molekylær formel C16 H14 F3 N3 O2 S
10

5-hydroxyomeprazol (~5% triethylamin som stabilisator), TRC

CAS: 92340-57-3 Molekylær formel: C17H19N3O4S Molekylvægt (g/mol): 361.42 Synonym: 3-Pyridinemethanol, 4-methoxy-6-[[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-5-methyl-,[4-methoxy-6-[(5-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridyl]methanol,5'-Hydroxyomeprazole IUPAC navn: [4-methoxy-6-[(5-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridin-3-yl]methanol SMIL: COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(CO)c(OC)c3C

Molekylvægt (g/mol) 361.42
CAS 92340-57-3
Synonym 3-Pyridinemethanol, 4-methoxy-6-[[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-5-methyl-,[4-methoxy-6-[(5-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridyl]methanol,5'-Hydroxyomeprazole
SMIL COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(CO)c(OC)c3C
IUPAC navn [4-methoxy-6-[(5-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridin-3-yl]methanol
Molekylær formel C17H19N3O4S
11

Rabeprazol natriumsalt, TRC

CAS: 117976-90-6 Molekylær formel: C18 H20 N3 O3 S . Na Molekylvægt (g/mol): 381.42 Synonym: 1H-Benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-, sodium salt (1:1),1H-Benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-, sodium salt (9CI),2-[[[4-(3-Methoxypropoxy)-3-methylpyridin-2-yl]methyl]sulfinyl]-1H-benzimidazole sodium salt,Aciphex,E 3810,LY 307640 sodium,Pariet,Pariprazole,Pepcia,Rabeprazole sodium,Rabicip,Razo IUPAC navn: natrium; 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazol-1-ide SMIL: [Na+].COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C

Molekylvægt (g/mol) 381.42
CAS 117976-90-6
Synonym 1H-Benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-, sodium salt (1:1),1H-Benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-, sodium salt (9CI),2-[[[4-(3-Methoxypropoxy)-3-methylpyridin-2-yl]methyl]sulfinyl]-1H-benzimidazole sodium salt,Aciphex,E 3810,LY 307640 sodium,Pariet,Pariprazole,Pepcia,Rabeprazole sodium,Rabicip,Razo
SMIL [Na+].COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C
IUPAC navn natrium; 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazol-1-ide
Molekylær formel C18 H20 N3 O3 S . Na
13

Pantoprazol N-oxid, TRC

CAS: 953787-60-5 Molekylær formel: C16 H15 F2 N3 O5 S Molekylvægt (g/mol): 399.37 Synonym: Pantoprazole N-Oxide,6-(Difluoromethoxy)-2-[[(3,4-dimethoxy-1-oxido-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole IUPAC navn: 5-(difluoromethoxy)-2-[(3,4-dimethoxy-1-oxidopyridin-1-ium-2-yl)methylsulfinyl]-1H-benzimidazol SMIL: COc1cc[n+]([O-])c(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC

Molekylvægt (g/mol) 399.37
CAS 953787-60-5
Synonym Pantoprazole N-Oxide,6-(Difluoromethoxy)-2-[[(3,4-dimethoxy-1-oxido-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
SMIL COc1cc[n+]([O-])c(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC
IUPAC navn 5-(difluoromethoxy)-2-[(3,4-dimethoxy-1-oxidopyridin-1-ium-2-yl)methylsulfinyl]-1H-benzimidazol
Molekylær formel C16 H15 F2 N3 O5 S
14

N-methyl pantoprazol (blanding af 1 og 3 isomerer), TRC

CAS: 624742-53-6 Molekylær formel: C17 H17 F2 N3 O4 S Molekylvægt (g/mol): 397.4 Synonym: 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-Benzimidazole,Pantoprazole Sodium Sesquihydrate Imp. D (EP) IUPAC navn: 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1-methylbenzimidazol SMIL: COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3n2C)c1OC

Molekylvægt (g/mol) 397.4
CAS 624742-53-6
Synonym 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-Benzimidazole,Pantoprazole Sodium Sesquihydrate Imp. D (EP)
SMIL COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3n2C)c1OC
IUPAC navn 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1-methylbenzimidazol
Molekylær formel C17 H17 F2 N3 O4 S
15

(R)-omeprazol natriumsalt, TRC

CAS: 161796-77-6 Molekylær formel: C17 H18 N3 O3 S . Na Molekylvægt (g/mol): 367.4 Synonym: 6-Methoxy-2-[(R)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole sodium salt (1:1),1H-Benzimidazole, 5-methoxy-2-[(R)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-, sodium salt (9CI),1H-Benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-, sodium salt, (R)-,(R)-Omeprazole sodium IUPAC navn: natrium; 5-methoxy-2-[(R)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide SMIL: [Na+].COc1ccc2[n-]c(nc2c1)[S@](=O)Cc3ncc(C)c(OC)c3C

Molekylvægt (g/mol) 367.4
CAS 161796-77-6
Synonym 6-Methoxy-2-[(R)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole sodium salt (1:1),1H-Benzimidazole, 5-methoxy-2-[(R)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-, sodium salt (9CI),1H-Benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-, sodium salt, (R)-,(R)-Omeprazole sodium
SMIL [Na+].COc1ccc2[n-]c(nc2c1)[S@](=O)Cc3ncc(C)c(OC)c3C
IUPAC navn natrium; 5-methoxy-2-[(R)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
Molekylær formel C17 H18 N3 O3 S . Na