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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H17NO4
Molecular Weight 275.2998
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZOYLNORECGONINE

SMILES

OC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)C3=CC=CC=C3)N2

InChI

InChIKey=CMYJDRSCSOXYHG-QNWHQSFQSA-N
InChI=1S/C15H17NO4/c17-14(18)13-11-7-6-10(16-11)8-12(13)20-15(19)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2,(H,17,18)/t10-,11+,12-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H17NO4
Molecular Weight 275.2998
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Human liver carboxylesterase hCE-1: binding specificity for cocaine, heroin, and their metabolites and analogs.
1997 Sep
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:32:25 GMT 2023
Edited
by admin
on Fri Dec 15 15:32:25 GMT 2023
Record UNII
J518R38LAU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOYLNORECGONINE
Common Name English
NORBENZOYLECGONINE
Common Name English
N-DEMETHYLBENZOYLECGONINE
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(BENZOYLOXY)-, (1R,2R,3S,5S)-
Systematic Name English
(-)-BENZOYLNORECGONINE
Common Name English
Code System Code Type Description
PUBCHEM
114718
Created by admin on Fri Dec 15 15:32:25 GMT 2023 , Edited by admin on Fri Dec 15 15:32:25 GMT 2023
PRIMARY
CAS
41889-45-6
Created by admin on Fri Dec 15 15:32:25 GMT 2023 , Edited by admin on Fri Dec 15 15:32:25 GMT 2023
PRIMARY
MESH
C012209
Created by admin on Fri Dec 15 15:32:25 GMT 2023 , Edited by admin on Fri Dec 15 15:32:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID20962035
Created by admin on Fri Dec 15 15:32:25 GMT 2023 , Edited by admin on Fri Dec 15 15:32:25 GMT 2023
PRIMARY
FDA UNII
J518R38LAU
Created by admin on Fri Dec 15 15:32:25 GMT 2023 , Edited by admin on Fri Dec 15 15:32:25 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY