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Substance Name: Acetic acid, (2,4,6-trimethylphenoxy)-, 1,4-piperazinediyldi-3,1-propanediyl ester, dihydrochloride
RN: 86746-13-6
InChIKey: BQIKGQWRHBERMN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H46-N2-O6.2Cl-H

Molecular Weight

  • 627.645
 
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Names and Synonyms

Synonym

  • (2,4,6-Trimethylphenoxy)acetic acid 1,4-piperazinediyldi-3,1-propanediyl ester 2HCl

Systematic Name

  • Acetic acid, (2,4,6-trimethylphenoxy)-, 1,4-piperazinediyldi-3,1-propanediyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 86746-13-6

System Generated Number

  • 0086746136

Molecular Formulas

Molecular Formula

  • C32-H46-N2-O6.2Cl-H

Molecular Formula Fragments

  • C32-H46-N2-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C32H46N2O6.2ClH/c1-23-17-25(3)31(26(4)18-23)39-21-29(35)37-15-7-9-33-11-13-34(14-12-33)10-8-16-38-30(36)22-40-32-27(5)19-24(2)20-28(32)6;;/h17-20H,7-16,21-22H2,1-6H3;2*1H

InChIKey

BQIKGQWRHBERMN-UHFFFAOYSA-N

Smiles

N1(CCN(CC1)CCCOC(=O)COc1c(cc(cc1C)C)C)CCCOC(=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)   Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 1089, 1983.