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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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1

4-Phenyl-1,2,3,4-tetrahydroisoquinoline Hydrochloride, TRC

CAS: 6109-35-9 Molecular Formula: C15 H15 N . Cl H Molecular Weight (g/mol): 245.75 IUPAC Name: 4-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride SMILES: Cl.C1NCc2ccccc2C1c3ccccc3

CAS 6109-35-9
Molecular Weight (g/mol) 245.75
SMILES Cl.C1NCc2ccccc2C1c3ccccc3
IUPAC Name 4-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
Molecular Formula C15 H15 N . Cl H
2

6-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline, TRC

CAS: 220327-29-7 Molecular Formula: C16H17N Molecular Weight (g/mol): 223.31 IUPAC Name: 6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline SMILES: Cc1ccc2C(NCCc2c1)c3ccccc3

CAS 220327-29-7
Molecular Weight (g/mol) 223.31
SMILES Cc1ccc2C(NCCc2c1)c3ccccc3
IUPAC Name 6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
Molecular Formula C16H17N
3

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
4

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
5

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
6

(+)-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
7

(1S)-3,4-Dihydro-1-phenyl-2(1H)-isoquinolinecarboxylic Acid 1-Methylethyl Ester (>90%), TRC

CAS: 1353274-25-5 Molecular Formula: C19 H21 N O2 Molecular Weight (g/mol): 295.38 Synonym: (1S)-3,4-Dihydro-1-phenyl-2(1H)-Isoquinolinecarboxylic acid 1-methylethyl ester,Solifenacin Succinate Imp. B (EP) IUPAC Name: propan-2-yl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate SMILES: CC(C)OC(=O)N1CCc2ccccc2[C@@H]1c3ccccc3

CAS 1353274-25-5
Molecular Weight (g/mol) 295.38
SMILES CC(C)OC(=O)N1CCc2ccccc2[C@@H]1c3ccccc3
Synonym (1S)-3,4-Dihydro-1-phenyl-2(1H)-Isoquinolinecarboxylic acid 1-methylethyl ester,Solifenacin Succinate Imp. B (EP)
IUPAC Name propan-2-yl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Molecular Formula C19 H21 N O2
8

(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
9

(S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline, TRC

CAS: 118864-75-8 Molecular Formula: C15 H15 N Molecular Weight (g/mol): 209.29 Synonym: Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-, (S)-,(+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline,(-)-(S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline,(1S)-1,2,3,4-Tetrahydro-1-phenylisoquinoline,(1S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline,(1S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline,(S)-(+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline,(S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline,Solifenacin Succinate Imp. A (EP) IUPAC Name: (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline SMILES: C1Cc2ccccc2[C@@H](N1)c3ccccc3

CAS 118864-75-8
Molecular Weight (g/mol) 209.29
SMILES C1Cc2ccccc2[C@@H](N1)c3ccccc3
Synonym Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-, (S)-,(+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline,(-)-(S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline,(1S)-1,2,3,4-Tetrahydro-1-phenylisoquinoline,(1S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline,(1S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline,(S)-(+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline,(S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline,Solifenacin Succinate Imp. A (EP)
IUPAC Name (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
Molecular Formula C15 H15 N
10

5,11-Dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one, TRC

CAS: 885-70-1 Molecular Formula: C12H9N3O Molecular Weight (g/mol): 211.22 SMILES: O=C1Nc2cccnc2Nc3ccccc13

CAS 885-70-1
Molecular Weight (g/mol) 211.22
SMILES O=C1Nc2cccnc2Nc3ccccc13
Molecular Formula C12H9N3O
11

Ethyl (S)-1-Phenyl-1,2,3,4-tetrahydro-2-isoquinolinecarboxylate, TRC

CAS: 180468-42-2 Molecular Formula: C18 H19 N O2 Molecular Weight (g/mol): 281.35 Synonym: (1S)-3,4-Dihydro-1-phenyl-2(1H)-isoquinolinecarboxylic acid ethyl ester,2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-, ethyl ester, (S)-,(S)-1-Phenyl-3,4-dihydro-1H-isoquinolinecarboxylic acid ethyl ester,Ethyl (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate,Ethyl (1S)-3,4-dihydro-1-phenyl-2(1H)-isoquinolinecarboxylate,Ethyl (S)-1-phenyl-1,2,3,4-tetrahydro-2-isoquinolinecarboxylate,Ethyl (S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate IUPAC Name: ethyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate SMILES: CCOC(=O)N1CCc2ccccc2[C@@H]1c3ccccc3

CAS 180468-42-2
Molecular Weight (g/mol) 281.35
SMILES CCOC(=O)N1CCc2ccccc2[C@@H]1c3ccccc3
Synonym (1S)-3,4-Dihydro-1-phenyl-2(1H)-isoquinolinecarboxylic acid ethyl ester,2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-, ethyl ester, (S)-,(S)-1-Phenyl-3,4-dihydro-1H-isoquinolinecarboxylic acid ethyl ester,Ethyl (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate,Ethyl (1S)-3,4-dihydro-1-phenyl-2(1H)-isoquinolinecarboxylate,Ethyl (S)-1-phenyl-1,2,3,4-tetrahydro-2-isoquinolinecarboxylate,Ethyl (S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
IUPAC Name ethyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Molecular Formula C18 H19 N O2
12

1-(3,4-Dihydro-7-hydroxy-6-methoxy-2(1H)-isoquinolinyl)-1-propanone, TRC

CAS: 1032822-42-6 Molecular Formula: C13H17NO3 Molecular Weight (g/mol): 235.28 SMILES: CCC(=O)N1CCc2cc(OC)c(O)cc2C1

CAS 1032822-42-6
Molecular Weight (g/mol) 235.28
SMILES CCC(=O)N1CCc2cc(OC)c(O)cc2C1
Molecular Formula C13H17NO3
13

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
14

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
15

(±)-Salsolidine (>90%), TRC

CAS: 5784-74-7 Molecular Formula: C12H17NO2 Molecular Weight (g/mol): 207.27 Synonym: 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methylisoquinoline,1-Methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline,6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline,N-Norcarnegine SMILES: COc1cc2CCNC(C)c2cc1OC

CAS 5784-74-7
Molecular Weight (g/mol) 207.27
SMILES COc1cc2CCNC(C)c2cc1OC
Synonym 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methylisoquinoline,1-Methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline,6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline,N-Norcarnegine
Molecular Formula C12H17NO2