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(±) -Lisofylline

CAT: 1106-BML-LP102-0050Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1106-BML-LP102-0050Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6493-06-7
Certification
RUO
Stability
As indicated on product label or CoA when stored as recommended.
Purity
≥98% (HPLC)
Molecular Formula
C 13 H 20 N 4 O 3
Molecular Weight
280.3
Shipping Conditions
Ambient Temperature
Storage Conditions
Ambient
Appearance
White to off-white solid.

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
Loading 3D structure...
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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MBS6099356-01(+/-)-Lisofylline-d6
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