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Substance Name: Cinnamic acid, alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)-, 3-tropanyl ester, hydrochloride, hydrate (4:1:1)
RN: 67210-61-1
InChIKey: BAZQQEHWCXMKHA-PNAHYYPNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H24-F3-N-O2.Cl-H.1/4H2-O

Molecular Weight

  • 451.914
 
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Names and Synonyms

  • Cinnamic acid, alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)-, 3-tropanyl ester, hydrochloride, hydrate (4:1:1)

Registry Numbers

CAS Registry Number

  • 67210-61-1

System Generated Number

  • 0067210611

Molecular Formulas

Molecular Formula

  • C24-H24-F3-N-O2.Cl-H.1/4H2-O

Molecular Formula Fragments

  • C24-H24-F3-N-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H24F3NO2.ClH/c1-28-19-11-12-20(28)15-21(14-19)30-23(29)22(13-16-5-3-2-4-6-16)17-7-9-18(10-8-17)24(25,26)27;/h2-10,13,19-21H,11-12,14-15H2,1H3;1H/b22-13+;

InChIKey

BAZQQEHWCXMKHA-PNAHYYPNSA-N

Smiles

C(\c1ccc(C(F)(F)F)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 256mg/kg (256mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1076, 1970.