ZAMICASTAT HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H21F2N3OS.ClH
Molecular Weight	437.934
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.FC1=CC(F)=C2OC[C@@H](CC2=C1)N3C(=S)NC=C3CCNCC4=CC=CC=C4

InChI

InChIKey=OIXMDJZVHVPBNM-GMUIIQOCSA-N

InChI=1S/C21H21F2N3OS.ClH/c22-16-8-15-9-18(13-27-20(15)19(23)10-16)26-17(12-25-21(26)28)6-7-24-11-14-4-2-1-3-5-14;/h1-5,8,10,12,18,24H,6-7,9,11,13H2,(H,25,28);1H/t18-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C21H21F2N3OS
Molecular Weight	401.473
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

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 05:26:25 UTC 2023` Edited by `admin` on `Sat Dec 16 05:26:25 UTC 2023`
Record UNII	PXQ9G79I10
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZAMICASTAT HYDROCHLORIDE

Common Name

English

2H-IMIDAZOLE-2-THIONE, 1-((3R)-6,8-DIFLUORO-3,4-DIHYDRO-2H-1-BENZOPYRAN-3-YL)-1,3-DIHYDRO-5-(2-((PHENYLMETHYL)AMINO)ETHYL)-, HYDROCHLORIDE (1:1)

Systematic Name

English

(R)-5-(2-(BENZYLAMINO)ETHYL)-1-(6,8-DIFLUOROCHROMAN-3-YL)-1H-IMIDAZOLE-2(3H)-THIONE HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

PXQ9G79I10