Mercaptopurine 250mg

CAT: 0628-A10568-250Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0628-A10568-250Size:250 mg

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CAS Number

50-44-2

Chemical Information

6-Mercaptopurine

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

CAS Number	50-44-2
PubChem CID	667490
IUPAC Name	3,7-dihydropurine-6-thione
Molecular Formula	C5H4N4S
Molecular Weight	152.18
XLogP	0
Topological Polar Surface Area	85.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	190

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

CAS: 50-44-2

CID: 667490

Formula: C5H4N4S

MW: 152.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.18
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	152.01566732
Monoisotopic Mass	152.01566732
Topological Polar Surface Area	85.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	190
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-M051800-01	Mercaptopurine
100590	6-Mercaptopurine
sc-206467	2-Mercaptopurine
A2355-25	Mercaptopurine (6-MP)
N-1063-100	6-Mercaptopurine-riboside
41390012-3	6-Mercaptopurine Monohydrate
438730	6-Mercaptopurine-d2