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Substance Name: Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride
RN: 78329-87-0
InChIKey: PMGFSDBWIONHAB-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C20-H32-N2-O3.Cl-H

Molecular Weight

  • 398.971
 
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Names and Synonyms

Synonyms

  • C 3192
  • p-(N-Butyl-2-(butylamino)acetamido)benzoic acid, butyl ester hydrrochloride

Systematic Name

  • Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 78329-87-0

System Generated Number

  • 0078329870

Molecular Formulas

Molecular Formula

  • C20-H32-N2-O3.Cl-H

Molecular Formula Fragments

  • C20-H32-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H34N2O3.ClH/c1-4-7-14-22-17-20(24)23(15-8-5-2)19-12-10-18(11-13-19)21(25)26-16-9-6-3;/h10-13,22H,4-9,14-17H2,1-3H3;1H

InChIKey

PMGFSDBWIONHAB-UHFFFAOYSA-N

Smiles

c1(N(C(C[NH2+]CCCC)=O)CCCC)ccc(C(OCCCC)=O)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 2825mg/kg (2825mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 609, 1958.
rat LD50 intraperitoneal 260mg/kg (260mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 609, 1958.