SpectraBase Spectrum ID |
DuYAO6NCSuI |
Name |
(-)-Benzoylecgonine |
CAS Registry Number |
519-09-5 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H19NO4 |
InChI |
InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m1/s1 |
InChIKey |
GVGYEFKIHJTNQZ-RQJABVFESA-N |
Molecular Weight |
289.331 g/mol |
SMILES |
OC([C@]1([C@]2(N([C@@](C[C@]1(OC(=O)c1ccccc1)[H])(CC2)[H])C)[H])[H])=O |
SPLASH |
splash10-0089-9500000000-0e754d8dbac73e4e7c3a |
Source of Spectrum |
W5-25997-0-0 |
Synonyms |
3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, [1R-(exo,exo)]-
1.alpha.H,5.alpha.H-Tropane-2.beta.-carboxylic acid, 3.beta.-hydroxy-, benzoate (ester)
3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, (1R,2R,3S,5S)-
8-Methyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylic acid
Benzoylecogonine
Cocaine metabolite
o-Benzoyl-(-)-ecgonine
EINECS 208-263-5 |
Wiley ID |
1292618 |