1-(2-((4-CHLOROPHENYL)THIO)ETHYL)-6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE FUMARATE, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H24ClNO2S.C4H4O4
Molecular Weight	494.0
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 1-(2-((4-CHLOROPHENYL)THIO)ETHYL)-6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE FUMARATE, (±)-

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.COC1=CC2=C(C=C1OC)C(CCSC3=CC=C(Cl)C=C3)N(C)CC2

InChI

InChIKey=DKQYIKUIWWYOQV-WLHGVMLRSA-N

InChI=1S/C20H24ClNO2S.C4H4O4/c1-22-10-8-14-12-19(23-2)20(24-3)13-17(14)18(22)9-11-25-16-6-4-15(21)5-7-16;5-3(6)1-2-4(7)8/h4-7,12-13,18H,8-11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C20H24ClNO2S
Molecular Weight	377.928
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:40:33 UTC 2023` Edited by `admin` on `Sat Dec 16 11:40:33 UTC 2023`
Record UNII	II78F25NNB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(2-((4-CHLOROPHENYL)THIO)ETHYL)-6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE FUMARATE, (±)-

Systematic Name

English

ISOQUINOLINE, 1-(2-((P-CHLOROPHENYL)THIO)ETHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-, FUMARATE (1:1), (±)-

Systematic Name

English

ISOQUINOLINE, 1-(2-((4-CHLOROPHENYL)THIO)ETHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-, (2E)-2-BUTENEDIOATE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

121488133

Created by admin on Sat Dec 16 11:40:34 UTC 2023 , Edited by admin on Sat Dec 16 11:40:34 UTC 2023

PRIMARY

FDA UNII

II78F25NNB

Created by admin on Sat Dec 16 11:40:34 UTC 2023 , Edited by admin on Sat Dec 16 11:40:34 UTC 2023

PRIMARY

CAS

19724-04-0

Created by admin on Sat Dec 16 11:40:34 UTC 2023 , Edited by admin on Sat Dec 16 11:40:34 UTC 2023

PRIMARY

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1-(2-((4-CHLOROPHENYL)THIO)ETHYL)-6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE

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