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5-Fluoro Cytosine

CAT: 0572-TRC-F589000-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F589000-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2022-85-7
Synonyms
Flucytosine
Hazard Statement
Suspected of damaging fertility or the unborn child
Purity
>95% (HPLC)
Smiles
NC1=NC(=O)NC=C1F
Molecular Formula
C4 H4 F N3 O
Molecular Weight
129.09
InChI
InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
Additionnal Information
IUPAC name: 4-amino-5-fluoro-1H-pyrimidin-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Flucytosine

Flucytosine is an organofluorine compound that is cytosine that is substituted at position 5 by a fluorine. A prodrug for the antifungal 5-fluorouracil, it is used for the treatment of systemic fungal infections. It has a role as a prodrug. It is an organofluorine compound, a pyrimidone, an aminopyrimidine, a nucleoside analogue and a pyrimidine antifungal drug. It is functionally related to a cytosine.

CAS Number2022-85-7
PubChem CID3366
IUPAC Name6-amino-5-fluoro-1H-pyrimidin-2-one
Molecular FormulaC4H4FN3O
Molecular Weight129.09
XLogP-0.9
Topological Polar Surface Area67.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity208
SMILES
C1=NC(=O)NC(=C1F)N
InChI
InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
InChIKey
XRECTZIEBJDKEO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flucytosine
CAS: 2022-85-7
CID: 3366
Formula: C4H4FN3O
MW: 129.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight129.09
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass129.03383992
Monoisotopic Mass129.03383992
Topological Polar Surface Area67.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity208
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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