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DPCPX 25mg

CAT: 0628-A16104-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A16104-25Size:25 mg
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CAS Number
102146-07-6

Chemical Information

Dpcpx

DPCPX is an oxopurine that is 7H-xanthine substituted at positions 1 and 3 by propyl groups and at position 8 by a cyclohexyl group. It has a role as an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor and an adenosine A1 receptor antagonist. It is functionally related to a 7H-xanthine.

CAS Number102146-07-6
PubChem CID1329
IUPAC Name8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione
Molecular FormulaC16H24N4O2
Molecular Weight304.39
XLogP4
Topological Polar Surface Area69.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity436
SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCCC3
InChI
InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
InChIKey
FFBDFADSZUINTG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dpcpx
CAS: 102146-07-6
CID: 1329
Formula: C16H24N4O2
MW: 304.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.39
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass304.18992602
Monoisotopic Mass304.18992602
Topological Polar Surface Area69.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity436
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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