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Tetrahydroisoquinolines

Organic heterocyclic compounds that consist of an isoquinoline ring with no double bonds; contains a benzene ring fused to a six-membered ring with one nitrogen atom and five carbon atoms.
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Keyword Search:
1 – 15 of 29 results
1

Hydrastinine, TRC

CAS: 6592-85-4 Molecular Formula: C11H13NO3 Molecular Weight (g/mol): 207.23 Synonym: 5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-ol IUPAC Name: 6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol SMILES: CN1CCc2cc3OCOc3cc2C1O

CAS 6592-85-4
Molecular Weight (g/mol) 207.23
SMILES CN1CCc2cc3OCOc3cc2C1O
Synonym 5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-ol
IUPAC Name 6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol
Molecular Formula C11H13NO3
2

Cotarnine, TRC

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

CAS 82-54-2
Molecular Weight (g/mol) 237.25
SMILES COc1c2OCOc2cc3CCN(C)C(O)c13
Synonym 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-ol
IUPAC Name 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol
Molecular Formula C12 H15 N O4
3

Praziquantel, TRC

CAS: 55268-74-1 Molecular Formula: C19 H24 N2 O2 Molecular Weight (g/mol): 312.41 Synonym: Praziquantel,4H-Pyrazino[2,1-a]isoquinolin-4-one, 2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-,2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one,(±)-Praziquantel,(±)-Praziquatel,2-(Cyclohexanecarbonyl)-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one,2-(Cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one,2-Cyclohexanecarbonyl-1,2,3,6,7,11b-hexahydro-pyrazino[2,1-a]isoquinolin-4-one,Azinox,Benesal,Biltricide,Cesol,Cysticide,Distocide,Droncit,Embay 8440,Epiquantel,Hada Clean,Prazinon,Praziquantel,Pyquiton,Saniquantrel,Warmnil IUPAC Name: (11bR)-2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one SMILES: O=C(C1CCCCC1)N2C[C@@H]3N(CCc4ccccc34)C(=O)C2

CAS 55268-74-1
Molecular Weight (g/mol) 312.41
SMILES O=C(C1CCCCC1)N2C[C@@H]3N(CCc4ccccc34)C(=O)C2
Synonym Praziquantel,4H-Pyrazino[2,1-a]isoquinolin-4-one, 2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-,2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one,(±)-Praziquantel,(±)-Praziquatel,2-(Cyclohexanecarbonyl)-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one,2-(Cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one,2-Cyclohexanecarbonyl-1,2,3,6,7,11b-hexahydro-pyrazino[2,1-a]isoquinolin-4-one,Azinox,Benesal,Biltricide,Cesol,Cysticide,Distocide,Droncit,Embay 8440,Epiquantel,Hada Clean,Prazinon,Praziquantel,Pyquiton,Saniquantrel,Warmnil
IUPAC Name (11bR)-2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
Molecular Formula C19 H24 N2 O2
4

Tetrabenazine-d6, TRC

CAS: 1392826-25-3 Molecular Formula: C19H21D6NO3 Molecular Weight (g/mol): 323.46 Synonym: (3R,11bR)-rel-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one-d6,cis-2-Oxo-3-(isobutyl)-9,10-dimethoxy-1,2,3,4,6,7-hexahydro -11bH-benzo[a]quinolizine-d6,(+/-)-Tetrabenazine-d6,NSC 169886-d6,NSC 172187-d6,Ro 1-9569-d6,Rubigen-d6 SMILES: O=C1C(CC(C)C)CN2CCC3=CC(OC([2H])([2H])[2H])=C(OC([2H])([2H])[2H])C=C3C2C1

CAS 1392826-25-3
Molecular Weight (g/mol) 323.46
SMILES O=C1C(CC(C)C)CN2CCC3=CC(OC([2H])([2H])[2H])=C(OC([2H])([2H])[2H])C=C3C2C1
Synonym (3R,11bR)-rel-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one-d6,cis-2-Oxo-3-(isobutyl)-9,10-dimethoxy-1,2,3,4,6,7-hexahydro -11bH-benzo[a]quinolizine-d6,(+/-)-Tetrabenazine-d6,NSC 169886-d6,NSC 172187-d6,Ro 1-9569-d6,Rubigen-d6
Molecular Formula C19H21D6NO3
5

rac-Praziquanamine, TRC

CAS: 61196-37-0 Molecular Formula: C12 H14 N2 O Molecular Weight (g/mol): 202.2524 Synonym: 1,2,3,6,7,11b-Hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one,(±)-Praziquanamine,DL-Praziquanamine IUPAC Name: 1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one SMILES: O=C1CNCC2N1CCc3ccccc23

CAS 61196-37-0
Molecular Weight (g/mol) 202.2524
SMILES O=C1CNCC2N1CCc3ccccc23
Synonym 1,2,3,6,7,11b-Hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one,(±)-Praziquanamine,DL-Praziquanamine
IUPAC Name 1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one
Molecular Formula C12 H14 N2 O
6

(S)-Praziquantel, TRC

CAS: 57452-97-8 Molecular Formula: C19 H24 N2 O2 Molecular Weight (g/mol): 312.41 Synonym: (11bS)-2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one,(S)-2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one,(+)-Praziquantel,(S)-(+)-Praziquantel,(S)-Praziquantel,d-Praziquantel IUPAC Name: (11bS)-2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one SMILES: O=C(C1CCCCC1)N2C[C@H]3N(CCc4ccccc34)C(=O)C2

CAS 57452-97-8
Molecular Weight (g/mol) 312.41
SMILES O=C(C1CCCCC1)N2C[C@H]3N(CCc4ccccc34)C(=O)C2
Synonym (11bS)-2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one,(S)-2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one,(+)-Praziquantel,(S)-(+)-Praziquantel,(S)-Praziquantel,d-Praziquantel
IUPAC Name (11bS)-2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
Molecular Formula C19 H24 N2 O2
7

1,11b-Dedihydrotetrabenazine, TRC

CAS: 100322-43-8 Molecular Formula: C19H25NO3 Molecular Weight (g/mol): 315.41 Synonym: 3,4,6,7-Tetrahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one,3,4,6,7-Tetrahydro-3-isobutyl-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one; SMILES: O=C1C(CC(C)C)CN2CCC3=CC(OC)=C(OC)C=C3C2=C1

CAS 100322-43-8
Molecular Weight (g/mol) 315.41
SMILES O=C1C(CC(C)C)CN2CCC3=CC(OC)=C(OC)C=C3C2=C1
Synonym 3,4,6,7-Tetrahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one,3,4,6,7-Tetrahydro-3-isobutyl-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one;
Molecular Formula C19H25NO3
9

(+)-9-deMe-DTBZ, TRC

CAS: 1065193-59-0 Molecular Formula: C18 H27 N O3 Molecular Weight (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 Name: (2R,3R,11bR)-3-isobutyl-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-2,9-diol SMILES: COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)C)CN3CCc2cc1O

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

rac Salsolinol Hydrochloride, TRC

CAS: 79923-51-6 Molecular Formula: C10 H13 N O2 . Cl H Molecular Weight (g/mol): 215.68 IUPAC Name: 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride SMILES: Cl.CC1NCCc2cc(O)c(O)cc12

CAS 79923-51-6
Molecular Weight (g/mol) 215.68
SMILES Cl.CC1NCCc2cc(O)c(O)cc12
IUPAC Name 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride
Molecular Formula C10 H13 N O2 . Cl H
11

rac Salsolinol, Hydrobromide, TRC

CAS: 59709-57-8 Molecular Formula: C10 H13 N O2 . Br H Molecular Weight (g/mol): 260.13 Synonym: (+/-)-Salsolinol hydrobromide - Bio-X TM IUPAC Name: 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide SMILES: Br.CC1NCCc2cc(O)c(O)cc12

CAS 59709-57-8
Molecular Weight (g/mol) 260.13
SMILES Br.CC1NCCc2cc(O)c(O)cc12
Synonym (+/-)-Salsolinol hydrobromide - Bio-X TM
IUPAC Name 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
Molecular Formula C10 H13 N O2 . Br H
12

trans-Hydroxy Praziquantel, TRC

CAS: 134924-71-3 Molecular Formula: C19H24N2O3 Molecular Weight (g/mol): 328.41 Synonym: 1,2,3,6,7,11b-Hexahydro-2-[(cis-4-hydroxycyclohexyl)carbonyl]-4H-pyrazino[2,1-a]isoquinolin-4-one,trans-1,2,3,6,7,11b-Hexahydro-2-[(4-hydroxycyclohexyl)carbonyl]- 4H-pyrazino[2,1-a]isoquinolin-4-one; IUPAC Name: 2-((1r,4r)-4-hydroxycyclohexane-1-carbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one SMILES: O=C1N2CCC3=CC=CC=C3C2CN(C([C@H]4CC[C@H](O)CC4)=O)C1

CAS 134924-71-3
Molecular Weight (g/mol) 328.41
SMILES O=C1N2CCC3=CC=CC=C3C2CN(C([C@H]4CC[C@H](O)CC4)=O)C1
Synonym 1,2,3,6,7,11b-Hexahydro-2-[(cis-4-hydroxycyclohexyl)carbonyl]-4H-pyrazino[2,1-a]isoquinolin-4-one,trans-1,2,3,6,7,11b-Hexahydro-2-[(4-hydroxycyclohexyl)carbonyl]- 4H-pyrazino[2,1-a]isoquinolin-4-one;
IUPAC Name 2-((1r,4r)-4-hydroxycyclohexane-1-carbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
Molecular Formula C19H24N2O3
13

cis-Hydroxy Praziquantel, TRC

CAS: 134924-68-8 Molecular Formula: C19 H24 N2 O3 Molecular Weight (g/mol): 328.4 Synonym: 1,2,3,6,7,11b-Hexahydro-2-[(cis-4-hydroxycyclohexyl)carbonyl]-4H-pyrazino[2,1-a]isoquinolin-4-one,cis-(+/-)-1,2,3,6,7,11b-Hexahydro-2-[(4-hydroxycyclohexyl)carbonyl]- 4H-pyrazino[2,1-a]isoquinolin-4-one IUPAC Name: 2-(4-hydroxycyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one SMILES: O[C@@H]1CC[C@@H](CC1)C(=O)N2CC3N(CCc4ccccc34)C(=O)C2

CAS 134924-68-8
Molecular Weight (g/mol) 328.4
SMILES O[C@@H]1CC[C@@H](CC1)C(=O)N2CC3N(CCc4ccccc34)C(=O)C2
Synonym 1,2,3,6,7,11b-Hexahydro-2-[(cis-4-hydroxycyclohexyl)carbonyl]-4H-pyrazino[2,1-a]isoquinolin-4-one,cis-(+/-)-1,2,3,6,7,11b-Hexahydro-2-[(4-hydroxycyclohexyl)carbonyl]- 4H-pyrazino[2,1-a]isoquinolin-4-one
IUPAC Name 2-(4-hydroxycyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
Molecular Formula C19 H24 N2 O3
14

1,2-Deshydro Praziquantel, TRC

CAS: 125273-86-1 Molecular Formula: C19 H22 N2 O2 Molecular Weight (g/mol): 310.39 Synonym: 2-(Cyclohexylcarbonyl)-2,3,6,7-tetrahydro-4H-pyrazino[2,1-a]isoquinolin-4-one,Praziquantel Imp. B (EP),Praziquantel RC B (USP) IUPAC Name: 2-(cyclohexanecarbonyl)-6,7-dihydro-3H-pyrazino[2,1-a]isoquinolin-4-one SMILES: O=C(C1CCCCC1)N2CC(=O)N3CCc4ccccc4C3=C2

CAS 125273-86-1
Molecular Weight (g/mol) 310.39
SMILES O=C(C1CCCCC1)N2CC(=O)N3CCc4ccccc4C3=C2
Synonym 2-(Cyclohexylcarbonyl)-2,3,6,7-tetrahydro-4H-pyrazino[2,1-a]isoquinolin-4-one,Praziquantel Imp. B (EP),Praziquantel RC B (USP)
IUPAC Name 2-(cyclohexanecarbonyl)-6,7-dihydro-3H-pyrazino[2,1-a]isoquinolin-4-one
Molecular Formula C19 H22 N2 O2
15

(-)-Tetrabenazine (>75% ee), TRC

CAS: 1026016-84-1 Molecular Formula: C19H27NO3 Molecular Weight (g/mol): 317.42 Synonym: (3S,11bS)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one,(-)-TBZ,(-)-Tetrabenazine,(3S,11bS)-TBZ,(3S,11bS)-Tetrabenazine IUPAC Name: (3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one SMILES: COc1cc2CCN3C[C@H](CC(C)C)C(=O)C[C@H]3c2cc1OC

CAS 1026016-84-1
Molecular Weight (g/mol) 317.42
SMILES COc1cc2CCN3C[C@H](CC(C)C)C(=O)C[C@H]3c2cc1OC
Synonym (3S,11bS)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one,(-)-TBZ,(-)-Tetrabenazine,(3S,11bS)-TBZ,(3S,11bS)-Tetrabenazine
IUPAC Name (3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
Molecular Formula C19H27NO3