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Substance Name: Cinnamoylcocaine, (Z)-
RN: 50763-21-8
UNII: R3M4L88DXV
InChIKey: MQIXMJWNEKUAOZ-ZFYRMRLISA-N

Molecular Formula

  • C19-H23-N-O4

Molecular Weight

  • 329.3937
 
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Names and Synonyms

Name of Substance

  • Cinnamoylcocaine, (Z)-

Synonyms

  • 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 8-methyl-3-(((2Z)-1-oxo-3-phenyl-2-propen-1-yl)oxy)-, methyl ester, (1R,2R,3S,5S)-
  • 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 8-methyl-3-(((2Z)-1-oxo-3-phenyl-2-propenyl)oxy)-, methyl ester, (1R,2R,3S,5S)-
  • 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 8-methyl-3-((1-oxo-3-phenyl-2-propenyl)oxy)-, methyl ester, (1R-(1alpha,2alpha,3alpha(Z),5alpha))-
  • Cinnamoylcocaine, (Z)-
  • cis-Cinnamoylcocaine
  • UNII-R3M4L88DXV

Registry Numbers

CAS Registry Number

  • 50763-21-8

FDA UNII

  • R3M4L88DXV

System Generated Number

  • 0050763218

Structure Descriptors

InChI

1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8-/t14-,15+,16-,18+/m0/s1

InChIKey

MQIXMJWNEKUAOZ-ZFYRMRLISA-N

Smiles

COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)\C=C/c3ccccc3