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Substance Name: Cocaine mixture with dipicrylaminate
RN: 119519-02-7
InChIKey: WQGLUQDSKZDCHQ-PSDBAABZSA-N

Note

  • Drug combination containing cocaine and dipicrylaminate.

Molecular Formula

  • C17-H21-N-O4.x-C12-H5-N7-O12

Molecular Weight

  • 740.5922
 
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Names and Synonyms

Results Name

  • Cocaine mixture with dipicrylaminate

Name of Substance

  • Cocaine, dipicrylaminate drug combination

Synonyms

  • Cocaine - dipicrylaminate
  • Cocaine-dipicrylaminate

Systematic Name

  • 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R-(exo,exo))-, compd. with 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)benzenamine

Registry Numbers

CAS Registry Number

  • 119519-02-7

System Generated Number

  • 0119519027

Molecular Formulas

Molecular Formula

  • C17-H21-N-O4.x-C12-H5-N7-O12

Molecular Formula Fragments

  • C12-H5-N7-O12
  • C17-H21-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23NO3.C12H5N7O12/c1-19-14-8-9-15(19)17(18(21)22-2)13(10-14)11-16(20)12-6-4-3-5-7-12;20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31/h3-7,13-15,17H,8-11H2,1-2H3;1-4,13H/t13-,14+,15-,17+;/m1./s1

InChIKey

WQGLUQDSKZDCHQ-PSDBAABZSA-N

Smiles

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)CC(=O)c3ccccc3)C(=O)OC.c1c(cc(c(c1[N+](=O)[O-])Nc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]