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Substance Name: 3-Hydroxybenzoylecgonine
RN: 129944-99-6
InChIKey: XCJJCRPRQYXLRE-AHLTXXRQSA-N

Note

  • Contributes to the immunoreactivity for benzoylecgonine in the meconium of cocaine-exposed fetuses.

Molecular Formula

  • C16-H19-N-O5

Molecular Weight

  • 305.3281
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxybenzoylecgonine

Synonyms

  • (1R-(exo,exo))-3-((3-Hydroxybenzoyl)oxy)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylic acid
  • 3-Hydroxybenzoylecgonine
  • m-Hydroxybenzoylecgonine

Systematic Name

  • 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-((3-hydroxybenzoyl)oxy)-8-methyl-, (1R-(exo,exo))-

Registry Numbers

CAS Registry Number

  • 129944-99-6

System Generated Number

  • 0129944996

Structure Descriptors

InChI

1S/C16H19NO5/c1-17-10-5-6-12(17)14(15(19)20)13(8-10)22-16(21)9-3-2-4-11(18)7-9/h2-4,7,10,12-14,18H,5-6,8H2,1H3,(H,19,20)/t10-,12+,13-,14+/m0/s1

InChIKey

XCJJCRPRQYXLRE-AHLTXXRQSA-N

Smiles

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3cccc(c3)O)C(=O)O