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Substance Name: 2-Piperazinecarboxylic acid, 1,4-bis(3,4,5-trimethoxybenzoyl)-, hexyl ester
RN: 129477-57-2
InChIKey: XBEQXYIHPVWOBO-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

  • Hexyl 1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinecarboxylate
  • N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-n-hexyloxycarbonyl piperazine

Systematic Name

  • 2-Piperazinecarboxylic acid, 1,4-bis(3,4,5-trimethoxybenzoyl)-, hexyl ester

Registry Numbers

CAS Registry Number

  • 129477-57-2

System Generated Number

  • 0129477572

Structure Descriptors

InChI

1S/C31H42N2O10/c1-8-9-10-11-14-43-31(36)22-19-32(29(34)20-15-23(37-2)27(41-6)24(16-20)38-3)12-13-33(22)30(35)21-17-25(39-4)28(42-7)26(18-21)40-5/h15-18,22H,8-14,19H2,1-7H3

InChIKey

XBEQXYIHPVWOBO-UHFFFAOYSA-N

Smiles

CCCCCCOC(=O)C1CN(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 > 800mg/kg (800mg/kg)   United States Patent Document. Vol. #4923870,