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Substance Name: 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride
RN: 51734-78-2
InChIKey: AXECUULQTMQXAI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H33-N-O4.Cl-H

Molecular Weight

  • 399.9556
 
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Names and Synonyms

Synonym

  • 3-(Dibutylamino)-1,2-propanediol 2-benzoate 1-propanoate hydrochloride

Systematic Name

  • 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride

Registry Numbers

CAS Registry Number

  • 51734-78-2

System Generated Number

  • 0051734782

Molecular Formulas

Molecular Formula

  • C21-H33-N-O4.Cl-H

Molecular Formula Fragments

  • C21-H33-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H33NO4.ClH/c1-4-7-14-22(15-8-5-2)16-19(17-25-20(23)6-3)26-21(24)18-12-10-9-11-13-18;/h9-13,19H,4-8,14-17H2,1-3H3;1H

InChIKey

AXECUULQTMQXAI-UHFFFAOYSA-N

Smiles

CCCCN(CCCC)CC(COC(=O)CC)OC(=O)c1ccccc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 200mg/kg (200mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 126, 1974.