4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, HEXAHYDRO-2-(((1R,2R)-2-((4-(1-OXIDO-1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)METHYL)CYCLOHEXYL)METHYL)-, (3AR,4S,7R,7AS)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H36N4O3S
Molecular Weight	508.675
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, HEXAHYDRO-2-(((1R,2R)-2-((4-(1-OXIDO-1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)METHYL)CYCLOHEXYL)METHYL)-, (3AR,4S,7R,7AS)-

Structure Search

SMILES

[H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@@H]4CCCC[C@H]4CN5CCN(CC5)C6=NS(=O)C7=C6C=CC=C7)C2=O

InChI

InChIKey=MDYJLJKDGQUHSJ-HTWOXQOSSA-N

InChI=1S/C28H36N4O3S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)36(35)29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-,36?/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, HEXAHYDRO-2-(((1R,2R)-2-((4-(1-OXIDO-1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)METHYL)CYCLOHEXYL)METHYL)-, (3AR,4S,7R,7AS)-

Systematic Name

English

LURASIDONE METABOLITE M10

Common Name

English

ID-14324

Common Name

English

Code System Code Type Description

CAS

1809325-45-8

Created by admin on Sat Dec 16 14:47:56 GMT 2023 , Edited by admin on Sat Dec 16 14:47:56 GMT 2023

PRIMARY

FDA UNII

QX95ZN7H2D

Created by admin on Sat Dec 16 14:47:56 GMT 2023 , Edited by admin on Sat Dec 16 14:47:56 GMT 2023

PRIMARY

PUBCHEM

129011995

Created by admin on Sat Dec 16 14:47:56 GMT 2023 , Edited by admin on Sat Dec 16 14:47:56 GMT 2023

PRIMARY

PARENT (METABOLITE)


					22IC88528T

LURASIDONE

SUBSTANCE RECORD


					QX95ZN7H2D

4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, HEXAHYDRO-2-(((1R,2R)-2-((4-(1-OXIDO-1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)METHYL)CYCLOHEXYL)METHYL)-, (3AR,4S,7R,7AS)-