Lurasidone

CAS Registry Number®

367514-87-2
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CAS Name

Lurasidone

Molecular Formula

C28H36N4O2S

Molecular Mass

492.68

Cite this Page

Lurasidone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=367514-87-2 (retrieved 2024-07-12) (CAS RN: 367514-87-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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-/m0/s1

InChIKey

InChIKey=PQXKDMSYBGKCJA-CVTJIBDQSA-N

SMILES

O=C1[C@]2([C@]([C@]3(C[C@@]2(CC3)[H])[H])(C(=O)N1C[C@H]4[C@H](CN5CCN(CC5)C=6C=7C(SN6)=CC=CC7)CCCC4)[H])[H]

Canonical SMILES

O=C1N(C(=O)C2C1C3CCC2C3)CC4CCCCC4CN5CCN(C6=NSC=7C=CC=CC76)CC5

Other Names for this Substance

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