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Substance Name: ID-20222
RN: 1809349-32-3
UNII: BI217QK2ET
InChIKey: VNEDVDMCRJIBPV-HVXLONPLSA-N

Molecular Formula

  • C28-H36-N4-O5-S

Molecular Weight

  • 540.6814
 
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Names and Synonyms

Name of Substance

  • ID-20222

Synonyms

  • 4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(((1R,2R)-2-((4-(1,1-dioxido-1,2-benzisothiazol-3-yl)-1-piperazinyl)methyl)cyclohexyl)methyl)hexahydro-8-hydroxy-, stereoisomer
  • ID-20222
  • Lurasidone metabolite (id-20222)
  • UNII-BI217QK2ET

Registry Numbers

CAS Registry Number

  • 1809349-32-3

FDA UNII

  • BI217QK2ET

System Generated Number

  • 1809349323

Structure Descriptors

InChI

InChI=1S/C28H36N4O5S/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)38(36,37)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

VNEDVDMCRJIBPV-HVXLONPLSA-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)C6=NS(=O)(=O)c7ccccc67)C3=O