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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO4.HI
Molecular Weight 431.2654
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COCAINE HYDRIODIDE

SMILES

I.COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)C3=CC=CC=C3)N2C

InChI

InChIKey=FRSFLDQWDZQSQE-VZXSFKIWSA-N
InChI=1S/C17H21NO4.HI/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;1H/t12-,13+,14-,15+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C17H21NO4
Molecular Weight 303.3529
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula HI
Molecular Weight 127.9124
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:32:22 UTC 2023
Edited
by admin
on Sat Dec 16 11:32:22 UTC 2023
Record UNII
WMG69LB74K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COCAINE HYDRIODIDE
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(BENZOYLOXY)-8-METHYL-, METHYL ESTER, HYDRIODIDE, (1R-(EXO,EXO))-
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(BENZOYLOXY)-8-METHYL-, METHYL ESTER, HYDRIODIDE (1:1), (1R,2R,3S,5S)-
Systematic Name English
Code System Code Type Description
FDA UNII
WMG69LB74K
Created by admin on Sat Dec 16 11:32:22 UTC 2023 , Edited by admin on Sat Dec 16 11:32:22 UTC 2023
PRIMARY
PUBCHEM
162623700
Created by admin on Sat Dec 16 11:32:22 UTC 2023 , Edited by admin on Sat Dec 16 11:32:22 UTC 2023
PRIMARY
CAS
5988-01-2
Created by admin on Sat Dec 16 11:32:22 UTC 2023 , Edited by admin on Sat Dec 16 11:32:22 UTC 2023
PRIMARY
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