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Substance Name: Butanoic acid, 2-ethyl-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
RN: 129229-96-5
InChIKey: ZBRLGJYJSHQDOY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H42-N2-O10

Molecular Weight

  • 602.6768
 
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Names and Synonyms

Synonyms

  • (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl 2-ethylbutanoate
  • N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-(2'-ethyl)butanoyloxymethylpiperazine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 129229-96-5

System Generated Number

  • 0129229965

Structure Descriptors

InChI

1S/C31H42N2O10/c1-9-19(10-2)31(36)43-18-22-17-32(29(34)20-13-23(37-3)27(41-7)24(14-20)38-4)11-12-33(22)30(35)21-15-25(39-5)28(42-8)26(16-21)40-6/h13-16,19,22H,9-12,17-18H2,1-8H3

InChIKey

ZBRLGJYJSHQDOY-UHFFFAOYSA-N

Smiles

CCC(CC)C(=O)OCC1CN(CCN1C(=O)c2cc(c(c(c2)OC)OC)OC)C(=O)c3cc(c(c(c3)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,