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Substance Name: 2-Piperazinecarboxamide, 1,4-bis(3,4,5-trimethoxybenzoyl)-N-(2-chlorophenyl)-
RN: 129477-60-7
InChIKey: NRRYHQKEBUXUNQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H34-Cl-N3-O9

Molecular Weight

  • 628.0746
 
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Names and Synonyms

Synonyms

  • 1,4-Bis(3,4,5-trimethoxybenzoyl)-N-(2-chlorophenyl)-2-piperazinecarboxamide
  • N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-(N-o-chlorophenyl)amidopiperazine

Systematic Name

  • 2-Piperazinecarboxamide, 1,4-bis(3,4,5-trimethoxybenzoyl)-N-(2-chlorophenyl)-

Registry Numbers

CAS Registry Number

  • 129477-60-7

System Generated Number

  • 0129477607

Structure Descriptors

InChI

1S/C31H34ClN3O9/c1-39-23-13-18(14-24(40-2)27(23)43-5)30(37)34-11-12-35(22(17-34)29(36)33-21-10-8-7-9-20(21)32)31(38)19-15-25(41-3)28(44-6)26(16-19)42-4/h7-10,13-16,22H,11-12,17H2,1-6H3,(H,33,36)

InChIKey

NRRYHQKEBUXUNQ-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)C(=O)N2CCN(C(C2)C(=O)Nc3ccccc3Cl)C(=O)c4cc(c(c(c4)OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 800mg/kg (800mg/kg)   United States Patent Document. Vol. #4923870,