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Substance Name: Acetic acid, (2,4,6-trimethylphenoxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester, dihydrochloride
RN: 86746-11-4
InChIKey: HPEMGOSOZGNOKU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H42-N2-O6.2Cl-H

Molecular Weight

  • 599.592
 
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Names and Synonyms

Synonym

  • (2,4,6-Trimethylphenoxy)acetic acid 1,4-piperazinediyldi-2,1-ethanediyl ester dihydrochloride

Systematic Name

  • Acetic acid, (2,4,6-trimethylphenoxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 86746-11-4

System Generated Number

  • 0086746114

Molecular Formulas

Molecular Formula

  • C30-H42-N2-O6.2Cl-H

Molecular Formula Fragments

  • C30-H42-N2-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H42N2O6.2ClH/c1-21-15-23(3)29(24(4)16-21)37-19-27(33)35-13-11-31-7-9-32(10-8-31)12-14-36-28(34)20-38-30-25(5)17-22(2)18-26(30)6;;/h15-18H,7-14,19-20H2,1-6H3;2*1H

InChIKey

HPEMGOSOZGNOKU-UHFFFAOYSA-N

Smiles

N1(CCN(CC1)CCOC(=O)COc1c(cc(cc1C)C)C)CCOC(=O)COc1c(cc(C)cc1C)C.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 350mg/kg (350mg/kg) BEHAVIORAL: EXCITEMENT Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 1089, 1983.