U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO4
Molecular Weight 302.3537
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COCAINE C-11

SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O[11CH3]

InChI

InChIKey=ZPUCINDJVBIVPJ-HMPVBNLRSA-N
InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1/i2-1

HIDE SMILES / InChI

Approval Year

Name Type Language
COCAINE C-11
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(BENZOYLOXY)-8-METHYL-, METHYL-11C ESTER, (1R-(EXO,EXO))-
Systematic Name English
Code System Code Type Description
FDA UNII
6354H8D6D3
Created by admin on Sat Dec 16 01:53:27 GMT 2023 , Edited by admin on Sat Dec 16 01:53:27 GMT 2023
PRIMARY
CAS
154821-46-2
Created by admin on Sat Dec 16 01:53:27 GMT 2023 , Edited by admin on Sat Dec 16 01:53:27 GMT 2023
PRIMARY
PUBCHEM
134819851
Created by admin on Sat Dec 16 01:53:27 GMT 2023 , Edited by admin on Sat Dec 16 01:53:27 GMT 2023
PRIMARY