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Details

Stereochemistry ACHIRAL
Molecular Formula C5H3N4S.Na
Molecular Weight 174.159
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MERCAPTOPURINE SODIUM

SMILES

[Na+].S=C1[N-]C=NC2=C1N=CN2

InChI

InChIKey=CVTDRIGVRPDWTR-UHFFFAOYSA-M
InChI=1S/C5H4N4S.Na/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);/q;+1/p-1

HIDE SMILES / InChI
Molecular Formula C5H4N4S
Molecular Weight 152.177
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:11:02 UTC 2023
Edited
by admin
on Fri Dec 15 15:11:02 UTC 2023
Record UNII
Z28R9MMN37
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MERCAPTOPURINE SODIUM
Systematic Name English
6H-PURINE-6-THIONE, 1,2,3,9-TETRAHYDRO-, SODIUM SALT
Systematic Name English
PURINE-6-THIOL, SODIUM SALT
Common Name English
SULFOMERCAPRINE SODIUM
Common Name English
6H-PURINE-6-THIONE, 1,7-DIHYDRO-, SODIUM SALT
Common Name English
6-MERCAPTOPURINE SODIUM
Systematic Name English
Code System Code Type Description
CAS
1194-62-3
Created by admin on Fri Dec 15 15:11:02 UTC 2023 , Edited by admin on Fri Dec 15 15:11:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID20635499
Created by admin on Fri Dec 15 15:11:02 UTC 2023 , Edited by admin on Fri Dec 15 15:11:02 UTC 2023
PRIMARY
FDA UNII
Z28R9MMN37
Created by admin on Fri Dec 15 15:11:02 UTC 2023 , Edited by admin on Fri Dec 15 15:11:02 UTC 2023
PRIMARY
CAS
7487-93-6
Created by admin on Fri Dec 15 15:11:02 UTC 2023 , Edited by admin on Fri Dec 15 15:11:02 UTC 2023
SUPERSEDED
PUBCHEM
23675754
Created by admin on Fri Dec 15 15:11:02 UTC 2023 , Edited by admin on Fri Dec 15 15:11:02 UTC 2023
PRIMARY
Related Record Type Details
Structure of MERCAPTOPURINE ANHYDROUS
ACTIVE MOIETY
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