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Substance Name: Benzoic acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride
RN: 13718-13-3
InChIKey: PRGUDWLMFLCODA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H28-N2-O3.x-Cl-H

Molecular Weight

  • 344.88
 
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Names and Synonyms

Synonym

  • 4-Amino-3-butoxybenzoic acid 2-(diethylamino)ethyl ester hydrochloride

Systematic Name

  • Benzoic acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 13718-13-3

Related Registry Number

  • 99-43-4 (Parent)

System Generated Number

  • 0013718133

Molecular Formulas

Molecular Formula

  • C17-H28-N2-O3.x-Cl-H

Molecular Formula Fragments

  • C17-H28-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H28N2O3.ClH/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3;/h8-9,13H,4-7,10-12,18H2,1-3H3;1H

InChIKey

PRGUDWLMFLCODA-UHFFFAOYSA-N

Smiles

c1(cc(c(N)cc1)OCCCC)C(OCC[NH+](CC)CC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 450mg/kg (450mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 75, Pg. 215, 1955.