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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H40N4O3S
Molecular Weight 524.7201
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-8-HYDROXY-2-(((1R,2R)-2-((4-(IMINO(2-(METHYLTHIO)PHENYL)METHYL)-1-PIPERAZINYL)METHYL)CYCLOHEXYL)METHYL)-, STEREOISOMER

SMILES

CSc1ccccc1C(=N)N2CCN(CC2)C[C@]3([H])CCCC[C@@]3([H])CN4C(=O)[C@@]5([H])[C@]6([H])CC[C@]([H])([C@@]5([H])C4=O)C6([H])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 524.7201
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 Jun 26 05:59:04 UTC 2021
Edited
by admin
on Sat Jun 26 05:59:04 UTC 2021
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 Jun 26 05:59:04 UTC 2021 , Edited by admin on Sat Jun 26 05:59:04 UTC 2021
PRIMARY
PUBCHEM
138319986
Created by admin on Sat Jun 26 05:59:04 UTC 2021 , Edited by admin on Sat Jun 26 05:59:04 UTC 2021
PRIMARY
FDA UNII
GS4J4W9MA0
Created by admin on Sat Jun 26 05:59:04 UTC 2021 , Edited by admin on Sat Jun 26 05:59:04 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE