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Substance Name: Benzoic acid, 2-ethoxy-5-fluoro-, 3-(dibutylamino)propyl ester, hydrochloride
RN: 3829-91-2
InChIKey: VYYNYHBJFFCHHH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H32-F-N-O3.Cl-H

Molecular Weight

  • 389.936
 
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Names and Synonyms

Synonyms

  • 2-Ethoxy-5-fluorobenzoic acid 3-(dibutylamino)propyl ester hydrochloride
  • Fluoro-5-ethoxy-2-benzoate de gamma-dibutylaminopropyle chlorhydrate
  • Fluoro-5-ethoxy-2-benzoate de gamma-dibutylaminopropyle chlorhydrate [French]

Systematic Name

  • Benzoic acid, 2-ethoxy-5-fluoro-, 3-(dibutylamino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 3829-91-2

System Generated Number

  • 0003829912

Molecular Formulas

Molecular Formula

  • C20-H32-F-N-O3.Cl-H

Molecular Formula Fragments

  • C20-H32-F-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H32FNO3.ClH/c1-4-7-12-22(13-8-5-2)14-9-15-25-20(23)18-16-17(21)10-11-19(18)24-6-3;/h10-11,16H,4-9,12-15H2,1-3H3;1H

InChIKey

VYYNYHBJFFCHHH-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)F)OCC)C(OCCC[NH+](CCCC)CCCC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION

BLOOD: HEMORRHAGE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Annales Pharmaceutiques Francaises. Vol. 25, Pg. 481, 1967.