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Substance Name: Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride
RN: 38541-48-9
InChIKey: PQPWUTCFQHYVPE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N-O2.Cl-H

Molecular Weight

  • 291.7762
 
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Names and Synonyms

Synonym

  • 4-(2-Aminoethyl)phenyl 2-methylbenzoate hydrochloride

Systematic Name

  • Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 38541-48-9

System Generated Number

  • 0038541489

Molecular Formulas

Molecular Formula

  • C16-H17-N-O2.Cl-H

Molecular Formula Fragments

  • C16-H17-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H17NO2.ClH/c1-12-4-2-3-5-15(12)16(18)19-14-8-6-13(7-9-14)10-11-17;/h2-9H,10-11,17H2,1H3;1H

InChIKey

PQPWUTCFQHYVPE-UHFFFAOYSA-N

Smiles

Cc1ccccc1C(=O)Oc2ccc(cc2)CCN.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 172mg/kg (172mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Russian Pharmacology and Toxicology Vol. 39, Pg. 209, 1976.