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Raluridine

CAT: 0572-TRC-R100800-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R100800-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119644-22-3
Synonyms
Raluridine
Hazard Statement
No Data Available
Smiles
OC[C@H]1O[C@H](C[C@@H]1F)N2C=C(Cl)C(=O)NC2=O
Molecular Formula
C9 H10 Cl F N2 O4
Molecular Weight
264.638
InChI
InChI=1S/C9H10ClFN2O4/c10-4-2-13(9(16)12-8(4)15)7-1-5(11)6(3-14)17-7/h2,5-7,14H,1,3H2,(H,12,15,16)/t5-,6+,7+/m0/s1
Additionnal Information
IUPAC name: 5-chloro-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Shipping Conditions
Room Temperature

Chemical Information

Raluridine

Raluridine has been used in trials studying the treatment of HIV Infections.

CAS Number119644-22-3
PubChem CID451480
IUPAC Name5-chloro-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Molecular FormulaC9H10ClFN2O4
Molecular Weight264.64
XLogP0.2
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity389
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Cl)CO)F
InChI
InChI=1S/C9H10ClFN2O4/c10-4-2-13(9(16)12-8(4)15)7-1-5(11)6(3-14)17-7/h2,5-7,14H,1,3H2,(H,12,15,16)/t5-,6+,7+/m0/s1
InChIKey
WKVDSZYIGHLONN-RRKCRQDMSA-N
Chemical Structure
2D Structure
2D structure of Raluridine
CAS: 119644-22-3
CID: 451480
Formula: C9H10ClFN2O4
MW: 264.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.64
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass264.0313127
Monoisotopic Mass264.0313127
Topological Polar Surface Area78.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity389
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
PC1008098Raluridine

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