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

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H24ClNO2S.ClH
Molecular Weight	414.389
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

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

InChI

InChIKey=INGVJHIOFDAGIO-UHFFFAOYSA-N

InChI=1S/C20H24ClNO2S.ClH/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;/h4-7,12-13,18H,8-11H2,1-3H3;1H

HIDE SMILES / InChI

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	( + / - )

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:40:33 GMT 2023` Edited by `admin` on `Sat Dec 16 11:40:33 GMT 2023`
Record UNII	E2W214J53A
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

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

Systematic Name

English

1-(2-(4-CHLOROPHENYL)SULFANYLETHYL)-6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-2-IUM CHLORIDE

Systematic Name

English

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

Systematic Name

English

1-(2-((P-CHLOROPHENYL)THIO)ETHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID20944952

Created by admin on Sat Dec 16 11:40:33 GMT 2023 , Edited by admin on Sat Dec 16 11:40:33 GMT 2023

PRIMARY

PUBCHEM

31133

Created by admin on Sat Dec 16 11:40:33 GMT 2023 , Edited by admin on Sat Dec 16 11:40:33 GMT 2023

PRIMARY

CAS

22309-29-1

Created by admin on Sat Dec 16 11:40:33 GMT 2023 , Edited by admin on Sat Dec 16 11:40:33 GMT 2023

PRIMARY

FDA UNII

E2W214J53A

Created by admin on Sat Dec 16 11:40:33 GMT 2023 , Edited by admin on Sat Dec 16 11:40:33 GMT 2023

PRIMARY

Related Record Type Details


					FZX3EB4UST

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

PARENT -> SALT/SOLVATE