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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H24NO4.I
Molecular Weight 445.2919
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COCAINE METHIODIDE

SMILES

[I-].COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)C3=CC=CC=C3)[N+]2(C)C

InChI

InChIKey=NUJUJJCMBQWIFW-JRJWNBDDSA-M
InChI=1S/C18H24NO4.HI/c1-19(2)13-9-10-14(19)16(18(21)22-3)15(11-13)23-17(20)12-7-5-4-6-8-12;/h4-8,13-16H,9-11H2,1-3H3;1H/q+1;/p-1/t13-,14+,15-,16+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
COCAINE METHIODIDE
Common Name English
(-)-COCAINE METHIODIDE
Common Name English
8-AZONIABICYCLO(3.2.1)OCTANE, 3-(BENZOYLOXY)-2-(METHOXYCARBONYL)-8,8-DIMETHYL-, IODIDE (1:1), (1R,2R,3S,5S)-
Systematic Name English
1.ALPHA.H,5.ALPHA.H-TROPANIUM, 2.BETA.-CARBOXY-3.BETA.-HYDROXY-8-METHYL-, IODIDE, METHYL ESTER, BENZOATE
Common Name English
Code System Code Type Description
PUBCHEM
83828
Created by admin on Sat Dec 16 08:33:00 UTC 2023 , Edited by admin on Sat Dec 16 08:33:00 UTC 2023
PRIMARY
CAS
5937-29-1
Created by admin on Sat Dec 16 08:33:00 UTC 2023 , Edited by admin on Sat Dec 16 08:33:00 UTC 2023
PRIMARY
EPA CompTox
DTXSID50974782
Created by admin on Sat Dec 16 08:33:00 UTC 2023 , Edited by admin on Sat Dec 16 08:33:00 UTC 2023
PRIMARY
FDA UNII
83FKO5XD6J
Created by admin on Sat Dec 16 08:33:00 UTC 2023 , Edited by admin on Sat Dec 16 08:33:00 UTC 2023
PRIMARY
MESH
C076070
Created by admin on Sat Dec 16 08:33:00 UTC 2023 , Edited by admin on Sat Dec 16 08:33:00 UTC 2023
PRIMARY