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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16ClNO2S.BrH.H2O
Molecular Weight 420.749
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLOPIDOGREL HYDROBROMIDE MONOHYDRATE

SMILES

O.Br.COC(=O)[C@@H](N1CCC2=C(C1)C=CS2)C3=CC=CC=C3Cl

InChI

InChIKey=HTEWJQMRGUTISZ-CKUXDGONSA-N
InChI=1S/C16H16ClNO2S.BrH.H2O/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;;/h2-5,7,9,15H,6,8,10H2,1H3;1H;1H2/t15-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H16ClNO2S
Molecular Weight 321.822
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 21:17:09 UTC 2023
Edited
by admin
on Fri Dec 15 21:17:09 UTC 2023
Record UNII
T9U0M28798
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLOPIDOGREL HYDROBROMIDE MONOHYDRATE
Common Name English
Clopidogrel hydrobromide monohydrate [WHO-DD]
Common Name English
THIENO(3,2-C)PYRIDINE-5(4H)-ACETIC ACID, .ALPHA.-(2-CHLOROPHENYL)-6,7-DIHYDRO-, METHYL ESTER, HYDROBROMIDE, HYDRATE (1:1:1), (.ALPHA.S)-
Common Name English
Code System Code Type Description
FDA UNII
T9U0M28798
Created by admin on Fri Dec 15 21:17:09 UTC 2023 , Edited by admin on Fri Dec 15 21:17:09 UTC 2023
PRIMARY
EPA CompTox
DTXSID50237708
Created by admin on Fri Dec 15 21:17:09 UTC 2023 , Edited by admin on Fri Dec 15 21:17:09 UTC 2023
PRIMARY
PUBCHEM
67019436
Created by admin on Fri Dec 15 21:17:09 UTC 2023 , Edited by admin on Fri Dec 15 21:17:09 UTC 2023
PRIMARY
SMS_ID
100000145056
Created by admin on Fri Dec 15 21:17:09 UTC 2023 , Edited by admin on Fri Dec 15 21:17:09 UTC 2023
PRIMARY
EVMPD
SUB122697
Created by admin on Fri Dec 15 21:17:09 UTC 2023 , Edited by admin on Fri Dec 15 21:17:09 UTC 2023
PRIMARY
CAS
894353-16-3
Created by admin on Fri Dec 15 21:17:09 UTC 2023 , Edited by admin on Fri Dec 15 21:17:09 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE