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Tetrahydroisoquinoliner

Organiske heterocykliske forbindelser, der består af en isoquinolinring uden dobbeltbindinger; indeholder en benzenring fusioneret til en seksleddet ring med et nitrogenatom og fem carbonatomer.

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1

(S)-N-Boc-1,2,3,4-tetrahydroisoquinolin-3-carboxylsyre, 98%

CAS: 78879-20-6 Molekylær formel: C15H18NO4 Molekylvægt (g/mol): 276.31 MDL nummer: MFCD00143845 InChI nøgle: HFPVZPNLMJDJFB-LBPRGKRZSA-M Synonym: boc-tic-oh,s-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,s-n-boc-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,boc-l-tic-oh,s-2-boc-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3s-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,n-boc-l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3s-2-tert-butoxycarbonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid,3s-2-2-methylpropan-2-yl oxycarbonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid PubChem CID: 664088 IUPAC navn: (3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-carboxylsyre SMIL: CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C([O-])=O

MDL nummer MFCD00143845
PubChem CID 664088
Molekylvægt (g/mol) 276.31
CAS 78879-20-6
Synonym boc-tic-oh,s-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,s-n-boc-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,boc-l-tic-oh,s-2-boc-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3s-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,n-boc-l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3s-2-tert-butoxycarbonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid,3s-2-2-methylpropan-2-yl oxycarbonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid
SMIL CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C([O-])=O
IUPAC navn (3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-carboxylsyre
InChI nøgle HFPVZPNLMJDJFB-LBPRGKRZSA-M
Molekylær formel C15H18NO4
2

(R)-N-Boc-1,2,3,4-tetrahydroisoquinolin-3-carboxylsyre, 98%

CAS: 115962-35-1 Molekylær formel: C15H18NO4 Molekylvægt (g/mol): 276.31 MDL nummer: MFCD00143818 InChI nøgle: HFPVZPNLMJDJFB-GFCCVEGCSA-M Synonym: boc-d-tic-oh,r-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,boc-d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,n-boc-d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3r-2-tert-butoxy carbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r---n-boc-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-2-tert-butoxycarbonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid,r---2-tertbutoxycarbonyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,boc-d-tic,ambotzbaa1055 PubChem CID: 688607 IUPAC navn: (3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-carboxylsyre SMIL: CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@@H]1C([O-])=O

MDL nummer MFCD00143818
PubChem CID 688607
Molekylvægt (g/mol) 276.31
CAS 115962-35-1
Synonym boc-d-tic-oh,r-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,boc-d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,n-boc-d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3r-2-tert-butoxy carbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r---n-boc-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-2-tert-butoxycarbonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid,r---2-tertbutoxycarbonyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,boc-d-tic,ambotzbaa1055
SMIL CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@@H]1C([O-])=O
IUPAC navn (3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-carboxylsyre
InChI nøgle HFPVZPNLMJDJFB-GFCCVEGCSA-M
Molekylær formel C15H18NO4
3

N-Nornuciferine, MedChemExpress

MedChemExpress N-Nornuciferine is an aporphine alkaloid in lotus leaf that significantly inhibits CYP2D6 with IC50 and Ki of 3.76 and 2.34 μM, respectively.

ENCOMPASS_PREFERRED
Kemisk navn eller materiale N-Nornuciferine
Formel vægt 281.35
Opløselighedsinformation DMSO : 100 mg/mL (355.43 mM; Need ultrasonic)
Procent renhed 99.18%
Fysisk form Solid
Farve Off-White
Grad Research
Anbefalet opbevaring Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molekylvægt (g/mol) 281.35
CAS 4846-19-9
Holdbarhed Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
SMIL COC1=C(OC)C2=C3C(CCN[C@]3([H])CC4=CC=CC=C24)=C1
Renhedsgrad noter Research
Molekylær formel C18H19NO2
Til brug med (applikation) COVID-19-immunoregulation
4

(R)-(+)-1,2,3,4-Tetrahydroisoquinolin-3-carboxylsyre

CAS: 103733-65-9 Molekylær formel: C10H11NO2 Molekylvægt (g/mol): 177.20 MDL nummer: MFCD00144038 InChI nøgle: BWKMGYQJPOAASG-UHFFFAOYNA-N Synonym: r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,h-d-tic-oh,d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r-+-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 3r,3r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid,r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylicacid PubChem CID: 712398 SMIL: OC(=O)C1CC2=CC=CC=C2CN1

MDL nummer MFCD00144038
PubChem CID 712398
Molekylvægt (g/mol) 177.20
CAS 103733-65-9
Synonym r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,h-d-tic-oh,d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r-+-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 3r,3r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid,r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylicacid
SMIL OC(=O)C1CC2=CC=CC=C2CN1
InChI nøgle BWKMGYQJPOAASG-UHFFFAOYNA-N
Molekylær formel C10H11NO2
5

(S)-(-)-1,2,3,4-Tetrahydroisoquinolin-3-carboxylsyre, 97%

CAS: 74163-81-8 Molekylær formel: C10H11NO2 Molekylvægt (g/mol): 177.20 MDL nummer: MFCD00144533 InChI nøgle: BWKMGYQJPOAASG-VIFPVBQESA-N Synonym: l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,s-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,h-tic-oh,l-porretine,3s-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,s-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,unii-737g46u1np,s---1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3s-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid PubChem CID: 2733226 IUPAC navn: (3S)-1,2,3,4-tetrahydroisoquinolin-3-carboxylsyre SMIL: OC(=O)[C@@H]1CC2=CC=CC=C2CN1

MDL nummer MFCD00144533
PubChem CID 2733226
Molekylvægt (g/mol) 177.20
CAS 74163-81-8
Synonym l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,s-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,h-tic-oh,l-porretine,3s-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,s-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,unii-737g46u1np,s---1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3s-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
SMIL OC(=O)[C@@H]1CC2=CC=CC=C2CN1
IUPAC navn (3S)-1,2,3,4-tetrahydroisoquinolin-3-carboxylsyre
InChI nøgle BWKMGYQJPOAASG-VIFPVBQESA-N
Molekylær formel C10H11NO2
6

4-Phenyl-1,2,3,4-tetrahydroisoquinolin Hydrochlorid, TRC

CAS: 6109-35-9 Molekylær formel: C15 H15 N . Cl H Molekylvægt (g/mol): 245.75 IUPAC navn: 4-phenyl-1,2,3,4-tetrahydroisoquinolin; hydrochlorid SMIL: Cl.C1NCc2ccccc2C1c3ccccc3

Molekylvægt (g/mol) 245.75
CAS 6109-35-9
SMIL Cl.C1NCc2ccccc2C1c3ccccc3
IUPAC navn 4-phenyl-1,2,3,4-tetrahydroisoquinolin; hydrochlorid
Molekylær formel C15 H15 N . Cl H
7

Cotarnine, TRC

CAS: 82-54-2 Molekylær formel: C12 H15 N O4 Molekylvægt (g/mol): 237.25 Synonym: 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-ol IUPAC navn: 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol SMIL: COc1c2OCOc2cc3CCN(C)C(O)c13

Molekylvægt (g/mol) 237.25
CAS 82-54-2
Synonym 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-ol
SMIL COc1c2OCOc2cc3CCN(C)C(O)c13
IUPAC navn 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol
Molekylær formel C12 H15 N O4
8

4-Methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin, TRC

CAS: 550-10-7 Molekylær formel: C12 H15 N O3 Molekylvægt (g/mol): 221.25 Synonym: Hydrocotarnine (6CI) IUPAC navn: 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin SMIL: COc1c2CN(C)CCc2cc3OCOc13

Molekylvægt (g/mol) 221.25
CAS 550-10-7
Synonym Hydrocotarnine (6CI)
SMIL COc1c2CN(C)CCc2cc3OCOc13
IUPAC navn 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin
Molekylær formel C12 H15 N O3
9

rac Salsolinol Hydrochlorid, TRC

CAS: 79923-51-6 Molekylær formel: C10 H13 N O2 . Cl H Molekylvægt (g/mol): 215.68 IUPAC navn: 1-methyl-1,2,3,4-tetrahydroisoquinolin-6,7-diol; hydrochlorid SMIL: Cl.CC1NCCc2cc(O)c(O)cc12

Molekylvægt (g/mol) 215.68
CAS 79923-51-6
SMIL Cl.CC1NCCc2cc(O)c(O)cc12
IUPAC navn 1-methyl-1,2,3,4-tetrahydroisoquinolin-6,7-diol; hydrochlorid
Molekylær formel C10 H13 N O2 . Cl H
10

(+)-9-deMe-DTBZ, TRC

CAS: 1065193-59-0 Molekylær formel: C18 H27 N O3 Molekylvægt (g/mol): 305.41 Synonym: (2R,3R,11bR)-1,3,4,6,7,11b-Hexahydro-10-methoxy-3-(2-methylpropyl)-2H-Benzo[a]quinolizine-2,9-diol IUPAC navn: (2R,3R,11bR)-3-isobutyl-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2,9-diol SMIL: COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)C)CN3CCc2cc1O

Molekylvægt (g/mol) 305.41
CAS 1065193-59-0
Synonym (2R,3R,11bR)-1,3,4,6,7,11b-Hexahydro-10-methoxy-3-(2-methylpropyl)-2H-Benzo[a]quinolizine-2,9-diol
SMIL COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)C)CN3CCc2cc1O
IUPAC navn (2R,3R,11bR)-3-isobutyl-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2,9-diol
Molekylær formel C18 H27 N O3
11

(1S)-3,4-Dihydro-1-phenyl-2(1H)-isoquinolincarboxylsyre 1-methylethylester (>90%), TRC

CAS: 1353274-25-5 Molekylær formel: C19 H21 N O2 Molekylvægt (g/mol): 295.38 Synonym: (1S)-3,4-Dihydro-1-phenyl-2(1H)-Isoquinolinecarboxylic acid 1-methylethyl ester,Solifenacin Succinate Imp. B (EP) IUPAC navn: propan-2-yl (1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-carboxylat SMIL: CC(C)OC(=O)N1CCc2ccccc2[C@@H]1c3ccccc3

Molekylvægt (g/mol) 295.38
CAS 1353274-25-5
Synonym (1S)-3,4-Dihydro-1-phenyl-2(1H)-Isoquinolinecarboxylic acid 1-methylethyl ester,Solifenacin Succinate Imp. B (EP)
SMIL CC(C)OC(=O)N1CCc2ccccc2[C@@H]1c3ccccc3
IUPAC navn propan-2-yl (1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-carboxylat
Molekylær formel C19 H21 N O2
13

rac Salsolinol, Hydrobromid, TRC

CAS: 59709-57-8 Molekylær formel: C10 H13 N O2 . Br H Molekylvægt (g/mol): 260.13 Synonym: (+/-)-Salsolinol hydrobromide - Bio-X TM IUPAC navn: 1-methyl-1,2,3,4-tetrahydroisoquinolin-6,7-diol; hydrobromid SMIL: Br.CC1NCCc2cc(O)c(O)cc12

Molekylvægt (g/mol) 260.13
CAS 59709-57-8
Synonym (+/-)-Salsolinol hydrobromide - Bio-X TM
SMIL Br.CC1NCCc2cc(O)c(O)cc12
IUPAC navn 1-methyl-1,2,3,4-tetrahydroisoquinolin-6,7-diol; hydrobromid
Molekylær formel C10 H13 N O2 . Br H
14

7-Nitro-1,2,3,4-tetrahydroisoquinolin hydrochlorid, 97+%

CAS: 99365-69-2 Molekylær formel: C9H11ClN2O2 Molekylvægt (g/mol): 214.649 MDL nummer: MFCD07371494 InChI nøgle: KGIXLJRTYZOUCW-UHFFFAOYSA-N Synonym: 7-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride,7-nitro-1,2,3,4-tetrahydro-isoquinoline hydrochloride,7-nitro-1,2,3,4-tetrahydroisoquinoline hcl,1,2,3,4-tetrahydro-7-nitroisoquinoline hydrochloride,7-nitro-1,2,3,4-tetrahydroisoquinolinehydrochloride,isoquinoline, 1,2,3,4-tetrahydro-7-nitro-, monohydrochloride,ksc683k9f,7-nitro-1,2,3,4-tetrahydroisoquinoline monohydrochloride,7-nitro-1,2,3,4-tetrahydroisoquinoline-hydrogen chloride 1/1 PubChem CID: 13521670 IUPAC navn: 7-nitro-1,2,3,4-tetrahydroisoquinolin;hydrochlorid SMIL: C1CNCC2=C1C=CC(=C2)[N+](=O)[O-].Cl

MDL nummer MFCD07371494
PubChem CID 13521670
Molekylvægt (g/mol) 214.649
CAS 99365-69-2
Synonym 7-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride,7-nitro-1,2,3,4-tetrahydro-isoquinoline hydrochloride,7-nitro-1,2,3,4-tetrahydroisoquinoline hcl,1,2,3,4-tetrahydro-7-nitroisoquinoline hydrochloride,7-nitro-1,2,3,4-tetrahydroisoquinolinehydrochloride,isoquinoline, 1,2,3,4-tetrahydro-7-nitro-, monohydrochloride,ksc683k9f,7-nitro-1,2,3,4-tetrahydroisoquinoline monohydrochloride,7-nitro-1,2,3,4-tetrahydroisoquinoline-hydrogen chloride 1/1
SMIL C1CNCC2=C1C=CC(=C2)[N+](=O)[O-].Cl
IUPAC navn 7-nitro-1,2,3,4-tetrahydroisoquinolin;hydrochlorid
InChI nøgle KGIXLJRTYZOUCW-UHFFFAOYSA-N
Molekylær formel C9H11ClN2O2
15

2-Methyl-1,2,3,4-tetrahydroisoquinolin Hydrochlorid, TRC

CAS: 53112-33-7 Molekylær formel: C10 H13 N . H Cl Molekylvægt (g/mol): 183.68 Synonym: Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride (1:1) (ACI),Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride (7CI, 9CI),2-Methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride,N-Methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride,1,2,3,4-Tetrahydro-2-methylisoquinoline hydrochloride IUPAC navn: 2-methyl-3,4-dihydro-1H-isoquinolin; hydrochlorid SMIL: Cl.CN1CCc2ccccc2C1

Molekylvægt (g/mol) 183.68
CAS 53112-33-7
Synonym Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride (1:1) (ACI),Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride (7CI, 9CI),2-Methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride,N-Methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride,1,2,3,4-Tetrahydro-2-methylisoquinoline hydrochloride
SMIL Cl.CN1CCc2ccccc2C1
IUPAC navn 2-methyl-3,4-dihydro-1H-isoquinolin; hydrochlorid
Molekylær formel C10 H13 N . H Cl