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Substance Name: Benzoic acid, 4-fluoro-3-iodo-, ((1-diethylamino-1-methyl)propyl) ester, hydrochloride
RN: 67049-47-2
InChIKey: XMUOWIDMTKWPCZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H21-F-I-N-O2.Cl-H

Molecular Weight

  • 429.695
 
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Names and Synonyms

Synonym

  • Hydrochloride of the diethylamino-2-butyl 3-iodo-4-fluorobenzoate

Systematic Name

  • Benzoic acid, 4-fluoro-3-iodo-, ((1-diethylamino-1-methyl)propyl) ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 67049-47-2

System Generated Number

  • 0067049472

Molecular Formulas

Molecular Formula

  • C15-H21-F-I-N-O2.Cl-H

Molecular Formula Fragments

  • C15-H21-F-I-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H21FINO2.ClH/c1-5-15(4,18(6-2)7-3)20-14(19)11-8-9-12(16)13(17)10-11;/h8-10H,5-7H2,1-4H3;1H

InChIKey

XMUOWIDMTKWPCZ-UHFFFAOYSA-N

Smiles

[NH+]([C@@](OC(c1cc(c(F)cc1)I)=O)(CC)C)(CC)CC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 57mg/kg (57mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 39, Pg. 4, 1950.
mouse LDLo subcutaneous 600mg/kg (600mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 39, Pg. 4, 1950.