Propentofylline

CAT: 0926-FP27197-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-FP27197-01Size:2 mg

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CAS Number

55242-55-2

Synonyms

3,7-Dihydro-3-methyl-1- (5-oxohexyl) -7-propyl-1H-purine-2,6-dione; HWA-285; Albert-285

MDL Number

MFCD00133785

Smiles

CCCN1C=NC2=C1C (=O) N (C (=O) N2C) CCCCC (=O) C

Molecular Formula

C15H22N4O3

Molecular Weight

306.36 g/mol

Controlled

Yes

Chemical Information

Propentofylline

Propentofylline is an oxopurine.

CAS Number	55242-55-2
PubChem CID	4938
IUPAC Name	3-methyl-1-(5-oxohexyl)-7-propylpurine-2,6-dione
Molecular Formula	C15H22N4O3
Molecular Weight	306.36
XLogP	0.7
Topological Polar Surface Area	75.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	454

SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C

InChI

InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3

InChIKey

RBQOQRRFDPXAGN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55242-55-2

CID: 4938

Formula: C15H22N4O3

MW: 306.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.36
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	306.16919058
Monoisotopic Mass	306.16919058
Topological Polar Surface Area	75.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	454
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
M33635-01	Propentofylline
HY-107203S-01	Propentofylline-d6
463054	Propentofylline-d7
AR-P03072-01	Hydroxy Propentofylline
sc-488198	Rac 5-Hydroxy Propentofylline
sc-488543	Rac 5-Hydroxy propentofylline-d6