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Substance Name: 1-Piperazinepropanamide, N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-4-(phenylmethyl)-, (4-alpha,4a-beta,9b-beta)-
RN: 58323-07-2
InChIKey: ZDKMIQMYORYOOX-JCYYIGJDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H35-N3-O3

Molecular Weight

  • 461.6025
 
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Names and Synonyms

Synonyms

  • 5-23-02-00336 (Beilstein Handbook Reference)
  • BRN 0904164

Systematic Name

  • 1-Piperazinepropanamide, N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-4-(phenylmethyl)-, (4-alpha,4a-beta,9b-beta)-

Registry Numbers

CAS Registry Number

  • 58323-07-2

System Generated Number

  • 0058323072

Structure Descriptors

InChI

1S/C28H35N3O3/c1-20-8-9-24-22(18-20)28(2)12-10-23(32)26(27(28)34-24)29-25(33)11-13-30-14-16-31(17-15-30)19-21-6-4-3-5-7-21/h3-9,18,26-27H,10-17,19H2,1-2H3,(H,29,33)/t26-,27-,28-/m1/s1

InChIKey

ZDKMIQMYORYOOX-JCYYIGJDSA-N

Smiles

Cc1ccc2c(c1)[C@]3(CCC(=O)[C@H]([C@H]3O2)NC(=O)CCN4CCN(CC4)Cc5ccccc5)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4010268,