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Details

Stereochemistry ACHIRAL
Molecular Formula C5H4N4S
Molecular Weight 152.177
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MERCAPTOPURINE ANHYDROUS

SMILES

S=C1NC=NC2=C1N=CN2

InChI

InChIKey=GLVAUDGFNGKCSF-UHFFFAOYSA-N
InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)

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

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:26:17 UTC 2023
Edited
by admin
on Fri Dec 15 15:26:17 UTC 2023
Record UNII
PKK6MUZ20G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MERCAPTOPURINE ANHYDROUS
WHO-DD  
Common Name English
Mercaptopurine anhydrous [WHO-DD]
Common Name English
6-MERCAPTOPURINE
MI  
Systematic Name English
1,9-DIHYDRO-6H-PURINE-6-THIONE
Systematic Name English
AZATHIOPRINE IMPURITY B [EP IMPURITY]
Common Name English
6-MERCAPTOPURINE [MI]
Common Name English
MERCAPTOPURINE [HSDB]
Common Name English
mercaptopurine [INN]
Common Name English
6-MERCAPTOPURINE [IARC]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1556
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
NDF-RT N0000175595
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
IARC 6-Mercaptopurine
NDF-RT N0000000233
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
FDA ORPHAN DRUG 286309
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
Code System Code Type Description
CAS
50-44-2
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
PRIMARY
SMS_ID
100000090120
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
PRIMARY
NCI_THESAURUS
C61832
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
PRIMARY
EVMPD
SUB22133
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
PRIMARY
ECHA (EC/EINECS)
200-037-4
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
PRIMARY
DAILYMED
PKK6MUZ20G
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
PRIMARY
MESH
D015122
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
PRIMARY
FDA UNII
PKK6MUZ20G
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
PRIMARY
INN
587
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
PRIMARY
PUBCHEM
667490
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
PRIMARY
DRUG BANK
DB01033
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
PRIMARY
RXCUI
1546028
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
PRIMARY RxNorm
EVMPD
SUB12149MIG
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
PRIMARY
CHEBI
50667
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
PRIMARY
MERCK INDEX
m7208
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
PRIMARY Merck Index
HSDB
3235
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID0020810
Created by admin on Fri Dec 15 15:26:17 UTC 2023 , Edited by admin on Fri Dec 15 15:26:17 UTC 2023
PRIMARY
Related Record Type Details
Structure of MERCAPTOPURINE
SALT/SOLVATE -> PARENT
Structure of MERCAPTOPURINE
SUBSTANCE->BASIS OF STRENGTH
Structure of MERCAPTOPURINE
SOLVATE->ANHYDROUS
Related Record Type Details
Structure of 6-METHYLMERCAPTOPURINE
METABOLITE INACTIVE -> PARENT
Structure of THIOINOSINIC ACID
METABOLITE ACTIVE -> PARENT
Scientific Literature
Structure of THIOURIC ACID
METABOLITE -> PARENT
Structure of AZATHIOPRINE
PRODRUG -> METABOLITE ACTIVE
Structure of 6-THIOXANTHINE
METABOLITE -> PARENT
Structure of THIOURIC ACID
METABOLITE INACTIVE -> PARENT
Mediator-xanthine oxidase
Related Record Type Details
Structure of AZATHIOPRINE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of MERCAPTOPURINE ANHYDROUS
ACTIVE MOIETY
NIH
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