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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

Molecular Formula C17H21NO4
Molecular Weight 302.3537
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:53:27 GMT 2023
Edited
by admin
on Sat Dec 16 01:53:27 GMT 2023
Record UNII
6354H8D6D3
Record Status Validated (UNII)
Record Version
  • Download
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
Related Record Type Details
NON-LABELED -> LABELED