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Substance Name: Butanoic acid, 3,3-dimethyl-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
RN: 129229-99-8
InChIKey: ZVGSBMSQLRSOHN-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 3,3-dimethylbutanoate
  • N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-tert-butyl acetyloxymethylpiperazine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 129229-99-8

System Generated Number

  • 0129229998

Structure Descriptors

InChI

1S/C31H42N2O10/c1-31(2,3)16-26(34)43-18-21-17-32(29(35)19-12-22(37-4)27(41-8)23(13-19)38-5)10-11-33(21)30(36)20-14-24(39-6)28(42-9)25(15-20)40-7/h12-15,21H,10-11,16-18H2,1-9H3

InChIKey

ZVGSBMSQLRSOHN-UHFFFAOYSA-N

Smiles

CC(C)(C)CC(=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,