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(Rac) -Naxifylline

CAT: 0931-T33600L-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T33600L-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
166181-76-6
Target
Others
Related Pathways
Others
Purity
>99.99%
Bioactivity
(Rac) -Naxifylline may be used to study congestive heart failure.
Smiles
O=C1C=2NC(=NC2N(C(=O)N1CCC)CCC)C3CC4CC3C5OC54
Molecular Formula
C18H24N4O3
Molecular Weight
344.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8-(1S,2R,4S,5S,6R)-3-Oxatricyclo(3.2.1.02,4)oct-6-yl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione
CAS Number166181-76-6
PubChem CID9798222
IUPAC Name8-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)-1,3-dipropyl-7H-purine-2,6-dione
Molecular FormulaC18H24N4O3
Molecular Weight344.4
XLogP2
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity599
SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CC4CC3C5C4O5
InChI
InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20)
InChIKey
OQCJPFYWFGUHIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(1S,2R,4S,5S,6R)-3-Oxatricyclo(3.2.1.02,4)oct-6-yl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione
CAS: 166181-76-6
CID: 9798222
Formula: C18H24N4O3
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass344.18484064
Monoisotopic Mass344.18484064
Topological Polar Surface Area81.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity599
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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