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Substance Name: Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate
RN: 100908-72-3
InChIKey: UAGGRJQCNZAGGQ-PNAHYYPNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H24-Cl-N-O2.Cl-H.H2-O

Molecular Weight

  • 418.362
 
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Names and Synonyms

Synonym

  • p-Chloro-alpha-phenylcinnamic acid 3-tropanyl ester hydrochloride hydrate

Systematic Name

  • Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 100908-72-3

System Generated Number

  • 0100908723

Molecular Formulas

Molecular Formula

  • C23-H24-Cl-N-O2.Cl-H.H2-O

Molecular Formula Fragments

  • C23-H24-Cl-N-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H24ClNO2.ClH/c1-25-19-11-12-20(25)15-21(14-19)27-23(26)22(17-5-3-2-4-6-17)13-16-7-9-18(24)10-8-16;/h2-10,13,19-21H,11-12,14-15H2,1H3;1H/b22-13+;

InChIKey

UAGGRJQCNZAGGQ-PNAHYYPNSA-N

Smiles

C(\c1ccccc1)(=C/c1ccc(Cl)cc1)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 512mg/kg (512mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1076, 1970.