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Substance Name: Cinnamic acid, alpha-(p-ethylphenyl)-, 3-tropanyl ester, hydrochloride, hydrate
RN: 100908-73-4
InChIKey: AXIVFDBOEWCOTN-CFYFISJPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H29-N-O2.Cl-H.H2-O

Molecular Weight

  • 411.97
 
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Names and Synonyms

Synonym

  • alpha-(p-Ethylphenyl)cinnamic acid 3-tropanyl ester hydrochloride hydrate

Systematic Name

  • Cinnamic acid, alpha-(p-ethylphenyl)-, 3-tropanyl ester, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 100908-73-4

System Generated Number

  • 0100908734

Molecular Formulas

Molecular Formula

  • C25-H29-N-O2.Cl-H.H2-O

Molecular Formula Fragments

  • C25-H29-N-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C25H29NO2.ClH/c1-3-18-9-11-20(12-10-18)24(15-19-7-5-4-6-8-19)25(27)28-23-16-21-13-14-22(17-23)26(21)2;/h4-12,15,21-23H,3,13-14,16-17H2,1-2H3;1H/b24-15+;

InChIKey

AXIVFDBOEWCOTN-CFYFISJPSA-N

Smiles

C(\c1ccc(CC)cc1)(=C/c1ccccc1)C(OC1C[C@@H]2[NH+](C)[C@@H](C1)CC2)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 128mg/kg (128mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1076, 1970.