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Substance Name: Cinnamic acid, alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate
RN: 100908-76-7
InChIKey: YOJMKIWJYKBAGE-CWUUNJJBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H25-N-O2.Cl-H.H2-O

Molecular Weight

  • 383.916
 
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Names and Synonyms

Synonyms

  • alpha-Phenylcinnamic acid 3-tropanyl ester hydrochloride hydrate
  • Benzeneacetic acid, alpha-(phenylmethylene)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, HCl

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100908-76-7

System Generated Number

  • 0100908767

Molecular Formulas

Molecular Formula

  • C23-H25-N-O2.Cl-H.H2-O

Molecular Formula Fragments

  • C23-H25-N-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H25NO2.ClH/c1-24-19-12-13-20(24)16-21(15-19)26-23(25)22(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17;/h2-11,14,19-21H,12-13,15-16H2,1H3;1H/b22-14+;

InChIKey

YOJMKIWJYKBAGE-CWUUNJJBSA-N

Smiles

C(\c1ccccc1)(=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 63mg/kg (63mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1076, 1970.