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Mercaptopurine (6-MP)

CAT: 1410-M14718-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M14718-01Size:25 mg
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Description
Mercaptopurine (6-mercaptopurine; 6-MP) is an immunosuppressive drug.
CAS Number
50-44-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
152.18
Molecular Formula
C5H4N4S
Notes
Research use only, not for human use.
Receptor
IMPDH| HPRT

Chemical Information

6-Mercaptopurine

Mercaptopurine can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number50-44-2
PubChem CID667490
IUPAC Name3,7-dihydropurine-6-thione
Molecular FormulaC5H4N4S
Molecular Weight152.18
XLogP0
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity190
SMILES
C1=NC2=C(N1)C(=S)N=CN2
InChI
InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChIKey
GLVAUDGFNGKCSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Mercaptopurine
CAS: 50-44-2
CID: 667490
Formula: C5H4N4S
MW: 152.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight152.18
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass152.01566732
Monoisotopic Mass152.01566732
Topological Polar Surface Area85.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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