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Substance Name: Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, hydrochloride
RN: 116534-54-4
InChIKey: ATLAUKRWMLXXLX-GEEYTBSJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N-O2.Cl-H

Molecular Weight

  • 385.932
 
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Names and Synonyms

Synonym

  • 1H-Azepineethanol, hexahydro-alpha-phenyl-, cinnamate

Systematic Name

  • Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 116534-54-4

System Generated Number

  • 0116534544

Molecular Formulas

Molecular Formula

  • C23-H27-N-O2.Cl-H

Molecular Formula Fragments

  • C23-H27-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27NO2.ClH/c25-23(16-15-20-11-5-3-6-12-20)26-22(21-13-7-4-8-14-21)19-24-17-9-1-2-10-18-24;/h3-8,11-16,22H,1-2,9-10,17-19H2;1H/b16-15+;

InChIKey

ATLAUKRWMLXXLX-GEEYTBSJSA-N

Smiles

c1([C@@H](C[NH+]2CCCCCC2)OC(\C=C\c2ccccc2)=O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 750mg/kg (750mg/kg)   Journal of the American Chemical Society. Vol. 81, Pg. 203, 1959.