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Substance Name: ent-Lurasidone
RN: 1448443-35-3
UNII: LLK3D758RH
InChIKey: PQXKDMSYBGKCJA-YBEUTXPYSA-N

Molecular Formula

  • C28-H36-N4-O2-S

Molecular Weight

  • 492.676
 
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Names and Synonyms

Name of Substance

  • ent-Lurasidone

Synonyms

  • 3aR,4S,7R,7aS)-2-(((1S,2S)-2-((4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl)methyl)cyclohexyl)methyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione
  • 4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(((1S,2S)-2-((4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)methyl)cyclohexyl)methyl)hexahydro-, (3aR,4S,7R,7aS)-
  • ent-Lurasidone
  • UNII-LLK3D758RH

Registry Numbers

CAS Registry Number

  • 1448443-35-3

FDA UNII

  • LLK3D758RH

System Generated Number

  • 1448443353

Structure Descriptors

InChI

1S/C28H36N4O2S/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)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m1/s1

InChIKey

PQXKDMSYBGKCJA-YBEUTXPYSA-N

Smiles

O=C1[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1C[C@H]4CCCC[C@@H]4CN5CCN(CC5)c6nsc7ccccc67