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Substance Name: Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride
RN: 63916-81-4
InChIKey: GFWHYXLNDSQZAF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-F-I-N-O2.Cl-H

Molecular Weight

  • 401.641
 
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Names and Synonyms

Synonym

  • 2-Diethylaminoethyl 4-fluoro-3-iodobenzoate hydrochloride

Systematic Name

  • Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 63916-81-4

System Generated Number

  • 0063916814

Molecular Formulas

Molecular Formula

  • C13-H17-F-I-N-O2.Cl-H

Molecular Formula Fragments

  • C13-H17-F-I-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H17FINO2.ClH/c1-3-16(4-2)7-8-18-13(17)10-5-6-11(14)12(15)9-10;/h5-6,9H,3-4,7-8H2,1-2H3;1H

InChIKey

GFWHYXLNDSQZAF-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 98mg/kg (98mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 39, Pg. 4, 1950.
mouse LDLo subcutaneous 1150mg/kg (1150mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 39, Pg. 4, 1950.