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Substance Name: Benzoic acid, (3-dimethylamino-1-(3-pyridyl))propyl ester, hydrochloride
RN: 69780-89-8
InChIKey: KNCPWWKZEUXSCB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-N2-O2.Cl-H

Molecular Weight

  • 320.818
 
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Names and Synonyms

Synonym

  • beta-Pyridyl-beta-dimethylaminoethylcarbinyl benzoate hydrochloride

Systematic Name

  • Benzoic acid, (3-dimethylamino-1-(3-pyridyl))propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 69780-89-8

System Generated Number

  • 0069780898

Molecular Formulas

Molecular Formula

  • C17-H20-N2-O2.Cl-H

Molecular Formula Fragments

  • C17-H20-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H20N2O2.ClH/c1-19(2)12-10-16(15-9-6-11-18-13-15)21-17(20)14-7-4-3-5-8-14;/h3-9,11,13,16H,10,12H2,1-2H3;1H

InChIKey

KNCPWWKZEUXSCB-UHFFFAOYSA-N

Smiles

c1([C@@H](OC(c2ccccc2)=O)CC[NH+](C)C)cccnc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intravenous 38mg/kg (38mg/kg)   Journal of the American Chemical Society. Vol. 56, Pg. 1612, 1934.