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Substance Name: ID-14326
RN: 1796569-32-8
UNII: 5Z4T08JI5F
InChIKey: VKVBDORNIIAKBR-KKNIMOQNSA-N

Molecular Formula

  • C28-H36-N4-O3-S

Molecular Weight

  • 508.6834
 
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Names and Synonyms

Name of Substance

  • ID-14326

Synonyms

  • (3aR,4R,7S,7aS,8S)-2-(((1R,2R)-2-((4-(Benzo(d)isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)-8-hydroxyhexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
  • ID-14326
  • Lurasidone metabolite M9
  • Stereoisomer of 2-((2-((4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)methyl)cyclohexyl)methyl)hexahydro-8-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione
  • UNII-5Z4T08JI5F

Registry Numbers

CAS Registry Number

  • 1796569-32-8

FDA UNII

  • 5Z4T08JI5F

System Generated Number

  • 1796569328

Structure Descriptors

InChI

InChI=1S/C28H36N4O3S/c33-25-20-9-10-21(25)24-23(20)27(34)32(28(24)35)16-18-6-2-1-5-17(18)15-30-11-13-31(14-12-30)26-19-7-3-4-8-22(19)36-29-26/h3-4,7-8,17-18,20-21,23-25,33H,1-2,5-6,9-16H2/t17-,18-,20-,21+,23-,24+,25-/m0/s1

InChIKey

VKVBDORNIIAKBR-KKNIMOQNSA-N

Smiles

O[C@H]1[C@H]2CC[C@@H]1[C@@H]3[C@H]2C(=O)N(C[C@@H]4CCCC[C@H]4CN5CCN(CC5)c6nsc7ccccc67)C3=O