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Substance Name: Benzoic acid, 2-(isopropylamino)butyl ester, hydrochloride
RN: 67032-13-7
InChIKey: MKRYTLREBOHTGD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N-O2.Cl-H

Molecular Weight

  • 271.786
 
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Names and Synonyms

  • Benzoic acid, 2-(isopropylamino)butyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 67032-13-7

System Generated Number

  • 0067032137

Molecular Formulas

Molecular Formula

  • C14-H21-N-O2.Cl-H

Molecular Formula Fragments

  • C14-H21-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H21NO2.ClH/c1-4-13(15-11(2)3)10-17-14(16)12-8-6-5-7-9-12;/h5-9,11,13,15H,4,10H2,1-3H3;1H

InChIKey

MKRYTLREBOHTGD-UHFFFAOYSA-N

Smiles

c1(C(OC[C@@H]([NH2+]C(C)C)CC)=O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 60mg/kg (60mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 181, 1947.
mouse LD50 subcutaneous > 1gm/kg (1000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 181, 1947.