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Substance Name: Benzoic acid, (2-(cyclopentylamino)-1,1-dimethyl)ethyl ester, hydrochloride
RN: 67032-24-0
InChIKey: KCRNYECHKJVOLP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N-O2.Cl-H

Molecular Weight

  • 297.824
 
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Names and Synonyms

  • Benzoic acid, (2-(cyclopentylamino)-1,1-dimethyl)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 67032-24-0

System Generated Number

  • 0067032240

Molecular Formulas

Molecular Formula

  • C16-H23-N-O2.Cl-H

Molecular Formula Fragments

  • C16-H23-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H23NO2.ClH/c1-16(2,12-17-14-10-6-7-11-14)19-15(18)13-8-4-3-5-9-13;/h3-5,8-9,14,17H,6-7,10-12H2,1-2H3;1H

InChIKey

KCRNYECHKJVOLP-UHFFFAOYSA-N

Smiles

c1(C(OC(C[NH2+]C2CCCC2)(C)C)=O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 181, 1947.
mouse LD50 subcutaneous 200mg/kg (200mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 181, 1947.