Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoylpropylester ecgonine
RN: 137819-55-7
UNII: 6VT73464P7
InChIKey: NGJWCZYRIKMKEP-VVLHAWIVSA-N

Note

  • Urinary metabolite of cocaine.

Molecular Formula

  • C19-H25-N-O4

Molecular Weight

  • 331.4095
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Benzoylpropylester ecgonine

Synonyms

  • 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, 1-methylethyl ester, (1R,2R,3S,5S)-
  • Benzoylecgonine isopropyl ester
  • Benzoylpropylester ecgonine
  • UNII-6VT73464P7

Registry Numbers

CAS Registry Number

  • 137819-55-7

FDA UNII

  • 6VT73464P7

System Generated Number

  • 0137819557

Structure Descriptors

InChI

1S/C19H25NO4/c1-12(2)23-19(22)17-15-10-9-14(20(15)3)11-16(17)24-18(21)13-7-5-4-6-8-13/h4-8,12,14-17H,9-11H2,1-3H3/t14-,15+,16-,17+/m0/s1

InChIKey

NGJWCZYRIKMKEP-VVLHAWIVSA-N

Smiles

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