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Substance Name: 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride
RN: 74427-50-2
InChIKey: BTGWEKWSISKKFW-NBYYMMLRSA-N

Molecular Formula

  • C16-H15-N-O2.Cl-H

Molecular Weight

  • 289.7604
 
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Names and Synonyms

Synonyms

  • 2-Methyl-3-(4-(3-pyridinylmethyl)phenyl)-2-propenoic acid hydrochloride
  • OKY 1555

Systematic Name

  • 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 74427-50-2

System Generated Number

  • 0074427502

Molecular Formulas

Molecular Formula

  • C16-H15-N-O2.Cl-H

Molecular Formula Fragments

  • C16-H15-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H15NO2.ClH/c1-12(16(18)19)9-13-4-6-14(7-5-13)10-15-3-2-8-17-11-15;/h2-9,11H,10H2,1H3,(H,18,19);1H/b12-9+;

InChIKey

BTGWEKWSISKKFW-NBYYMMLRSA-N

Smiles

C/C(=C\c1ccc(cc1)Cc2cccnc2)/C(=O)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 220mg/kg (220mg/kg)   British UK Patent Application. Vol. #2117760,