Tandospirone

CAS Registry Number®

87760-53-0
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CAS Name

Tandospirone

Molecular Formula

C21H29N5O2

Molecular Mass

383.49

Cite this Page

Tandospirone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87760-53-0 (retrieved 2024-03-28) (CAS RN: 87760-53-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    112-113.5 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-

InChIKey

InChIKey=CEIJFEGBUDEYSX-FZDBZEDMNA-N

SMILES

O=C1[C@]2([C@]([C@]3(C[C@@]2(CC3)[H])[H])(C(=O)N1CCCCN4CCN(CC4)C=5N=CC=CN5)[H])[H]

Canonical SMILES

O=C1N(C(=O)C2C3CCC(C3)C12)CCCCN4CCN(C5=NC=CC=N5)CC4

Other Names for this Substance

  • 4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, (3aR,4S,7R,7aS)-rel-
  • 4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, (3aα,4β,7β,7aα)-
  • rel-(3aR,4S,7R,7aS)-Hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione
  • Tandospirone

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