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Details

Stereochemistry ACHIRAL
Molecular Formula C5H4N4S.H2O
Molecular Weight 170.192
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MERCAPTOPURINE

SMILES

O.S=C1NC=NC2=C1N=CN2

InChI

InChIKey=WFFQYWAAEWLHJC-UHFFFAOYSA-N
InChI=1S/C5H4N4S.H2O/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);1H2

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 H2O
Molecular Weight 18.0153
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 15:13:26 UTC 2023
Edited
by admin
on Fri Dec 15 15:13:26 UTC 2023
Record UNII
E7WED276I5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MERCAPTOPURINE
EP   MART.   ORANGE BOOK   USP   USP-RS   VANDF   WHO-DD   WHO-IP  
Systematic Name English
MERCAPTOPURINE [WHO-IP]
Common Name English
MERCAPTOPURINE [USP MONOGRAPH]
Common Name English
MERCAPTOPURINUM [WHO-IP LATIN]
Common Name English
MERCAPTOPURINE HYDRATE
JAN  
Systematic Name English
MERCAPTOPURINE MONOHYDRATE
Systematic Name English
6H-PURINE-6-THIONE, 1,7-DIHYDRO-, MONOHYDRATE
Systematic Name English
PURINETHOL
Brand Name English
6H-PURINE-6-THIONE, 1,2,3,9-TETRAHYDRO-, HYDRATE (1:1)
Systematic Name English
1,7-DIHYDRO-6H-PURINE-6-THIONE HYDRATE
Systematic Name English
MERCAPTOPURINE MONOHYDRATE [EP MONOGRAPH]
Common Name English
NSC-759614
Code English
7H-PURINE-6-THIOL MONOHYDRATE
Systematic Name English
MERCAPTOPURINE [VANDF]
Common Name English
6-MERCAPTOPURINE MONOHYDRATE
MI  
Systematic Name English
MERCAPTOPURINE [USP-RS]
Common Name English
MERCAPTOPURINE [MART.]
Common Name English
MERCAPTOPURINE HYDRATE [JAN]
Common Name English
MERCAPTOPURINE [ORANGE BOOK]
Common Name English
NSC-755
Code English
Purine-6-thiol monohydrate
Systematic Name English
PURIXAN
Brand Name English
6-MERCAPTOPURINE MONOHYDRATE [MI]
Common Name English
Mercaptopurine [WHO-DD]
Common Name English
XALUPRINE
Brand Name English
MERCAPTOPURINE [EP IMPURITY]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1556
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
WHO-ATC L01BB02
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
FDA ORPHAN DRUG 373512
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
NDF-RT N0000175595
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
WHO-ESSENTIAL MEDICINES LIST 8.2
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
EU-Orphan Drug EU/3/09/628
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
NCI_THESAURUS C574
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
WHO-VATC QL01BB02
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
EMA ASSESSMENT REPORTS XALUPRINE (AUTHORIZED: LEUKEMIA, LYMPHOID)
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
LIVERTOX NBK548546
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
Code System Code Type Description
WIKIPEDIA
MERCAPTOPURINE
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID9025538
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
CHEBI
50667
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
DRUG CENTRAL
1708
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
EVMPD
SUB20430
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
RS_ITEM_NUM
1392002
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
MERCK INDEX
m7208
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY Merck Index
WHO INTERNATIONAL PHARMACOPEIA
MERCAPTOPURINE
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY Description: A yellow, crystalline powder.Solubility: Practically insoluble in water and ether R; slightly soluble in ethanol (~750 g/l) TS; dissolves in solutions of alkali hydroxides. Category: Cytotoxic drug. Storage: Mercaptopurine should be kept in a well-closed container, protected from light.Additional information: CAUTION: Mercaptopurine must be handled with care, avoiding contact with the skin and inhalation of airborne particles.It melts at a temperature exceeding 308 ?C with decomposition. Requirements:Mercaptopurine contains not less than 97.0% and not more than the equivalent of 102.0% of C5H4N4S, calculated with reference to the anhydrous substance.
NSC
759614
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
DRUG BANK
DB01033
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
RXCUI
103
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY RxNorm
CHEBI
31822
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
DAILYMED
E7WED276I5
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
IUPHAR
7226
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
PUBCHEM
2724350
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
CAS
6112-76-1
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
ChEMBL
CHEMBL1425
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
NCI_THESAURUS
C195
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
SMS_ID
100000085529
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
LACTMED
Mercaptopurine
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
NSC
755
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
FDA UNII
E7WED276I5
Created by admin on Fri Dec 15 15:13:26 UTC 2023 , Edited by admin on Fri Dec 15 15:13:26 UTC 2023
PRIMARY
Related Record Type Details
Structure of MERCAPTOPURINE ANHYDROUS
BASIS OF STRENGTH->SUBSTANCE
ASSAY (HPLC)
USP
Structure of MERCAPTOPURINE ANHYDROUS
BASIS OF STRENGTH->SUBSTANCE
ASSAY (TITRATION)
EP
Structure of MERCAPTOPURINE ANHYDROUS
ANHYDROUS->SOLVATE
Structure of MERCAPTOPURINE ANHYDROUS
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of AZATHIOPRINE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of MERCAPTOPURINE DISULFIDE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of HYPOXANTHINE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Related Record Type Details
Structure of MERCAPTOPURINE ANHYDROUS
ACTIVE MOIETY
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