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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO4.H2O4S
Molecular Weight 401.431
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COCAINE SULFATE

SMILES

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

InChI

InChIKey=OHOXZHVORBDIEV-VZXSFKIWSA-N
InChI=1S/C17H21NO4.H2O4S/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;1-5(2,3)4/h3-7,12-15H,8-10H2,1-2H3;(H2,1,2,3,4)/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 H2O4S
Molecular Weight 98.078
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 08:29:47 UTC 2023
Edited
by admin
on Sat Dec 16 08:29:47 UTC 2023
Record UNII
GG6P4Q1KNT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COCAINE SULFATE
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(BENZOYLOXY)-8-METHYL-, METHYL ESTER, (1R-(EXO,EXO))-, SULFATE (1:1)
Systematic Name English
1.ALPHA.H,5.ALPHA.H-TROPANE-2.BETA.-CARBOXYLIC ACID, 3.BETA.-HYDROXY-, METHYL ESTER, BENZOATE (ESTER), SULFATE (1:1)
Common Name English
Code System Code Type Description
FDA UNII
GG6P4Q1KNT
Created by admin on Sat Dec 16 08:29:47 UTC 2023 , Edited by admin on Sat Dec 16 08:29:47 UTC 2023
PRIMARY
PUBCHEM
56841038
Created by admin on Sat Dec 16 08:29:47 UTC 2023 , Edited by admin on Sat Dec 16 08:29:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID70974567
Created by admin on Sat Dec 16 08:29:47 UTC 2023 , Edited by admin on Sat Dec 16 08:29:47 UTC 2023
PRIMARY
CAS
5913-65-5
Created by admin on Sat Dec 16 08:29:47 UTC 2023 , Edited by admin on Sat Dec 16 08:29:47 UTC 2023
PRIMARY
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