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Substance Name: 1-Piperazinecarboxamide, 4-((4-chlorophenyl)phenylmethyl)-N-(3,4,5-trimethoxyphenyl)-
RN: 68061-04-1
InChIKey: RECBKSSAPPAEKS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H30-Cl-N3-O4

Molecular Weight

  • 496.004
 
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Names and Synonyms

Synonym

  • 4-((4-Chlorophenyl)phenylmethyl)-N-(3,4,5-trimethoxyphenyl)-1-piperazinecarboxamide

Systematic Name

  • 1-Piperazinecarboxamide, 4-((4-chlorophenyl)phenylmethyl)-N-(3,4,5-trimethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 68061-04-1

System Generated Number

  • 0068061041

Structure Descriptors

InChI

1S/C27H30ClN3O4/c1-33-23-17-22(18-24(34-2)26(23)35-3)29-27(32)31-15-13-30(14-16-31)25(19-7-5-4-6-8-19)20-9-11-21(28)12-10-20/h4-12,17-18,25H,13-16H2,1-3H3,(H,29,32)

InChIKey

RECBKSSAPPAEKS-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)NC(=O)N2CCN(CC2)C(c3ccccc3)c4ccc(cc4)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #4252804,