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Substance Name: Benzoic acid, 2-chloro-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
RN: 129229-94-3
InChIKey: YYOKEEFYTIKJOO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H35-Cl-N2-O10

Molecular Weight

  • 643.0855
 
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Names and Synonyms

Synonyms

  • (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl 2-chlorobenzoate
  • N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-ortho-chlorobenzoyloxymethylpiperazine

Systematic Name

  • Benzoic acid, 2-chloro-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester

Registry Numbers

CAS Registry Number

  • 129229-94-3

System Generated Number

  • 0129229943

Structure Descriptors

InChI

1S/C32H35ClN2O10/c1-39-24-13-19(14-25(40-2)28(24)43-5)30(36)34-11-12-35(21(17-34)18-45-32(38)22-9-7-8-10-23(22)33)31(37)20-15-26(41-3)29(44-6)27(16-20)42-4/h7-10,13-16,21H,11-12,17-18H2,1-6H3

InChIKey

YYOKEEFYTIKJOO-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)C(=O)N2CCN(C(C2)COC(=O)c3ccccc3Cl)C(=O)c4cc(c(c(c4)OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 700mg/kg (700mg/kg)   United States Patent Document. Vol. #4927825,