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Substance Name: Ecgonine methyl ester picrate
RN: 109667-29-0
UNII: 7Y77U39HCI
InChIKey: KILLEYFILBDUAA-NPPHLGRCSA-N

Molecular Formula

  • C10-H17-N-O3.C6-H3-N3-O7

Molecular Weight

  • 428.352
 
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Names and Synonyms

Name of Substance

  • Ecgonine methyl ester picrate

Synonyms

  • 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-hydroxy-8-methyl-, methyl ester, (1R-(exo,exo))-, compd. with 2,4,6-trinitrophenol (1:1)
  • Ecgonine methyl ester picrate
  • Ecgonine methyl ester picrate [WHO-DD]
  • Ecgonine, methyl ester, picrate
  • Methylecgonine monopicrate
  • UNII-7Y77U39HCI

Registry Numbers

CAS Registry Number

  • 109667-29-0

FDA UNII

  • 7Y77U39HCI

System Generated Number

  • 0109667290

Structure Descriptors

InChI

1S/C10H17NO3.C6H3N3O7/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-9,12H,3-5H2,1-2H3;1-2,10H/t6-,7+,8-,9+;/m0./s1

InChIKey

KILLEYFILBDUAA-NPPHLGRCSA-N

Smiles

COC(=O)[C@H]1[C@@H](O)C[C@@H]2CC[C@H]1N2C.Oc3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]