4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, HEXAHYDRO-8-HYDROXY-2-(((1R,2R)-2-((4-(IMINO(2-(METHYLTHIO)PHENYL)METHYL)-1-PIPERAZINYL)METHYL)CYCLOHEXYL)METHYL)-, STEREOISOMER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H40N4O3S
Molecular Weight	524.718
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, HEXAHYDRO-8-HYDROXY-2-(((1R,2R)-2-((4-(IMINO(2-(METHYLTHIO)PHENYL)METHYL)-1-PIPERAZINYL)METHYL)CYCLOHEXYL)METHYL)-, STEREOISOMER

Structure Search

SMILES

[H][C@@]12[C@H]3CC[C@H]([C@H]3O)[C@]1([H])C(=O)N(C[C@@H]4CCCC[C@H]4CN5CCN(CC5)C(=N)C6=C(SC)C=CC=C6)C2=O

InChI

InChIKey=PFGULJHMJODBDT-NZNDTZMFSA-N

InChI=1S/C29H40N4O3S/c1-37-23-9-5-4-8-20(23)27(30)32-14-12-31(13-15-32)16-18-6-2-3-7-19(18)17-33-28(35)24-21-10-11-22(26(21)34)25(24)29(33)36/h4-5,8-9,18-19,21-22,24-26,30,34H,2-3,6-7,10-17H2,1H3/t18-,19-,21-,22+,24-,25+,26?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H40N4O3S
Molecular Weight	524.718
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:05:08 UTC 2023` Edited by `admin` on `Sat Dec 16 15:05:08 UTC 2023`
Record UNII	GS4J4W9MA0
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, HEXAHYDRO-8-HYDROXY-2-(((1R,2R)-2-((4-(IMINO(2-(METHYLTHIO)PHENYL)METHYL)-1-PIPERAZINYL)METHYL)CYCLOHEXYL)METHYL)-, STEREOISOMER

Systematic Name

English

LURASIDONE METABOLITE M22

Common Name

English

STEREOISOMER OF HEXAHYDRO-8-HYDROXY-2-(((1R,2R)-2-((4-(IMINO(2-(METHYLTHIO)PHENYL)METHYL)-1-PIPERAZINYL)METHYL)CYCLOHEXYL)METHYL)-4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE

Systematic Name

English

Code System Code Type Description

CAS

1796569-37-3

Created by admin on Sat Dec 16 15:05:08 UTC 2023 , Edited by admin on Sat Dec 16 15:05:08 UTC 2023

PRIMARY

PUBCHEM

138319986

Created by admin on Sat Dec 16 15:05:08 UTC 2023 , Edited by admin on Sat Dec 16 15:05:08 UTC 2023

PRIMARY

FDA UNII

GS4J4W9MA0

Created by admin on Sat Dec 16 15:05:08 UTC 2023 , Edited by admin on Sat Dec 16 15:05:08 UTC 2023

PRIMARY

Related Record Type Details


					22IC88528T

LURASIDONE

PARENT -> METABOLITE