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Substance Name: 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
RN: 1796569-37-3
UNII: GS4J4W9MA0
InChIKey: PFGULJHMJODBDT-NZNDTZMFSA-N

Molecular Formula

  • C29-H40-N4-O3-S

Molecular Weight

  • 524.726
 
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Names and Synonyms

Name of Substance

  • 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

Synonyms

  • 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
  • Lurasidone metabolite M22
  • 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
  • UNII-GS4J4W9MA0

Registry Numbers

CAS Registry Number

  • 1796569-37-3

FDA UNII

  • GS4J4W9MA0

System Generated Number

  • 1796569373

Structure Descriptors

InChI

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

InChIKey

PFGULJHMJODBDT-NZNDTZMFSA-N

Smiles

CSc1ccccc1C(=N)N2CCN(C[C@@H]3CCCC[C@H]3CN4C(=O)[C@@H]5[C@H]6CC[C@H](C6O)[C@@H]5C4=O)CC2