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Hydroxy Pentoxifylline

CAT: 1596-AR-P01429-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P01429-01Size:10 Units
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CAS Number
6493-06-7
Synonyms
1- (5-Hydroxyhexyl) -3,7-dimethyl-1H-purine-2,6 (3H,7H) -dione; 3,7-Dihydro-1- (5-hydroxyhexyl) -3,7-dimethyl-1H-purine-2,6-dione
Molecular Formula
C13H20N4O3
Molecular Weight
280.33
API Name
Pentoxifylline

Chemical Information

(+/-)-Lisofylline

1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is a dimethylxanthine that is 3,7-dihydro-1H-purine-2,6-dione which is substituted at positions 1,3 and 7 by a 5-hydroxyhexyl group, methyl group and methyl group, respectively. It is a dimethylxanthine and a secondary alcohol.

CAS Number6493-06-7
PubChem CID57782
IUPAC Name1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione
Molecular FormulaC13H20N4O3
Molecular Weight280.32
XLogP0.7
Topological Polar Surface Area78.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity390
SMILES
CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O
InChI
InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3
InChIKey
NSMXQKNUPPXBRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+/-)-Lisofylline
CAS: 6493-06-7
CID: 57782
Formula: C13H20N4O3
MW: 280.32
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.32
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass280.15354051
Monoisotopic Mass280.15354051
Topological Polar Surface Area78.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-O-05856Hydroxy Pentoxifylline
CS-O-45016Hydroxy Pentoxifylline-d5
TMIJ-0231-01Hydroxy Pentoxifylline-d6
CS-O-46384Hydroxy Pentoxifylline-d4
CS-BV-00017Hydroxy Pentoxifylline-d3
RM-P052033-01Hydroxy Pentoxifylline-D6 (Rac-Lisofylline-D6)
HY-B0715-01Pentoxifylline

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