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Substance Name: Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
RN: 129229-91-0
InChIKey: HRAVCYOABUOCGK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H46-N2-O10

Molecular Weight

  • 630.7304
 
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Names and Synonyms

Synonyms

  • (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl octanoate
  • N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-n-octanoyloxymethylpiperazine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 129229-91-0

System Generated Number

  • 0129229910

Structure Descriptors

InChI

1S/C33H46N2O10/c1-8-9-10-11-12-13-29(36)45-21-24-20-34(32(37)22-16-25(39-2)30(43-6)26(17-22)40-3)14-15-35(24)33(38)23-18-27(41-4)31(44-7)28(19-23)42-5/h16-19,24H,8-15,20-21H2,1-7H3

InChIKey

HRAVCYOABUOCGK-UHFFFAOYSA-N

Smiles

CCCCCCCC(=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,