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Substance Name: Cocaine nitrate
RN: 5913-62-2
InChIKey: WMKJGEFEFFCBPM-VZXSFKIWSA-N

Molecular Formula

  • C17-H21-N-O4.H-N-O3

Molecular Weight

  • 366.3678
 
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Names and Synonyms

Synonym

  • EINECS 227-635-8

Systematic Names

  • 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R-(exo,exo))-, nitrate
  • Cocaine nitrate

Registry Numbers

CAS Registry Number

  • 5913-62-2

System Generated Number

  • 0005913622

Molecular Formulas

Molecular Formula

  • C17-H21-N-O4.H-N-O3

Molecular Formula Fragments

  • C17-H21-N-O4
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C17H21NO4.HNO3/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;2-1(3)4/h3-7,12-15H,8-10H2,1-2H3;(H,2,3,4)/t12-,13+,14-,15+;/m0./s1

InChIKey

WMKJGEFEFFCBPM-VZXSFKIWSA-N

Smiles

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC.[N+](=O)(O)[O-]