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Substance Name: Cinnamic acid, alpha-(p-aminophenyl)-, 3-tropanyl ester, hydrochloride, hydrate (4:5)
RN: 100908-71-2
InChIKey: JFYZPTPQDHBRJY-PNAHYYPNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-N2-O2.Cl-H.5/4H2-O

Molecular Weight

  • 398.931
 
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Names and Synonyms

Synonym

  • alpha-(p-Aminophenyl)cinnamic acid 3-tropanyl ester hydrochloride hydrate (4:5)

Systematic Name

  • Cinnamic acid, alpha-(p-aminophenyl)-, 3-tropanyl ester, hydrochloride, hydrate (4:5)

Registry Numbers

CAS Registry Number

  • 100908-71-2

System Generated Number

  • 0100908712

Molecular Formulas

Molecular Formula

  • C23-H26-N2-O2.Cl-H.5/4H2-O

Molecular Formula Fragments

  • C23-H26-N2-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H26N2O2.ClH/c1-25-19-11-12-20(25)15-21(14-19)27-23(26)22(13-16-5-3-2-4-6-16)17-7-9-18(24)10-8-17;/h2-10,13,19-21H,11-12,14-15,24H2,1H3;1H/b22-13+;

InChIKey

JFYZPTPQDHBRJY-PNAHYYPNSA-N

Smiles

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