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Substance Name: Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride
RN: 455-80-1
InChIKey: HQMLPMDFUQGCBW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-F-I-N-O2.Cl-H

Molecular Weight

  • 471.775
 
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Names and Synonyms

Results Name

  • Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride

Synonyms

  • 4-Fluoro-3-iodobenzoic acid, 3-(dibutylamino)propyl ester, hydrochloride
  • Dibutylaminopropyl 3-iodo-4-fluorobenzoate HCl
  • Hydrochloride of the di-n-butylaminopropyl 3-iodo-4-fluorobenzoate

Systematic Name

  • Benzoic acid, 4-fluoro-3-iodo-, 3-(dibutylamino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 455-80-1

System Generated Number

  • 0000455801

Molecular Formulas

Molecular Formula

  • C18-H27-F-I-N-O2.Cl-H

Molecular Formula Fragments

  • C18-H27-F-I-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H27FINO2.ClH/c1-3-5-10-21(11-6-4-2)12-7-13-23-18(22)15-8-9-16(19)17(20)14-15;/h8-9,14H,3-7,10-13H2,1-2H3;1H

InChIKey

HQMLPMDFUQGCBW-UHFFFAOYSA-N

Smiles

c1(cc(c(F)cc1)I)C(OCCCN(CCCC)CCCC)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 3gm/kg (3000mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 39, Pg. 4, 1950.
mouse LDLo intravenous 55mg/kg (55mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 39, Pg. 4, 1950.