Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Umespirone [INN]
RN: 107736-98-1
UNII: FG0A3VRL5K
InChIKey: BXNRTMZZILHVNJ-ZRZAMGCNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H40-N4-O5

Molecular Weight

  • 512.647
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Umespirone
  • Umespirone [INN]

Synonyms

  • KC 9172
  • N-Butyl-N'-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-2,2-dimethyl-1,1,3,3-propanetetracarboxylic 1,3:1,3-diimide
  • Umespirona
  • Umespirona [INN-Spanish]
  • Umespirone
  • Umespironum
  • Umespironum [INN-Latin]
  • UNII-FG0A3VRL5K

Systematic Names

  • 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-
  • N-Butyl-N'-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-2,2-dimethyl-1,1,3,3-propanetetracarboxylic 1,3:1,3-diimide

Registry Numbers

CAS Registry Number

  • 107736-98-1

FDA UNII

  • FG0A3VRL5K

System Generated Number

  • 0107736981

Structure Descriptors

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/t22-,23+

InChIKey

BXNRTMZZILHVNJ-ZRZAMGCNSA-N

Smiles

CCCCN1C(=O)[C@H]2C(=O)N(CCCCN3CCN(CC3)c4ccccc4OC)C(=O)[C@@H](C1=O)C2(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 215mg/kg (215mg/kg)   Drugs of the Future. Vol. 16, Pg. 437, 1991.