Umespirone

CAS Registry Number®

107736-98-1
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CAS Name

Umespirone

Molecular Formula

C28H40N4O5

Molecular Mass

512.64

Cite this Page

Umespirone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=107736-98-1 (retrieved 2024-04-26) (CAS RN: 107736-98-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H40N4O5/c1-5-6-14-31-24(33)22-26(35)32(27(36)23(25(31)34)28(22,2)3)15-10-9-13-29-16-18-30(19-17-29)20-11-7-8-12-21(20)37-4/h7-8,11-12,22-23H,5-6,9-10,13-19H2,1-4H3

InChIKey

InChIKey=BXNRTMZZILHVNJ-UHFFFAOYSA-N

SMILES

CC1(C)C2C(=O)N(CCCCN3CCN(CC3)C4=C(OC)C=CC=C4)C(=O)C1C(=O)N(CCCC)C2=O

Canonical SMILES

O=C1N(C(=O)C2C(=O)N(C(=O)C1C2(C)C)CCCCN3CCN(C=4C=CC=CC4OC)CC3)CCCC

Other Names for this Substance

  • 3,7-Diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone, 3-butyl-7-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-9,9-dimethyl-
  • 3-Butyl-7-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
  • Umespirone
  • KC 9172

CAS INSIGHTSTM
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