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Emtricitabine 50mg

CAT: 0628-A10349-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A10349-50Size:50 mg
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CAS Number
143491-57-0

Chemical Information

Emtricitabine

Emtricitabine is an organofluorine compound that is 5-fluorocytosine substituted at the 1 position by a 2-(hydroxymethyl)-1,3-oxathiolan-5-yl group (2R,5S configuration). It is used in combination therapy for the treatment of HIV-1 infection. It has a role as an antiviral drug and a HIV-1 reverse transcriptase inhibitor. It is an organofluorine compound, a pyrimidone, a monothioacetal and a nucleoside analogue.

CAS Number143491-57-0
PubChem CID60877
IUPAC Name4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
Molecular FormulaC8H10FN3O3S
Molecular Weight247.25
XLogP-0.6
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity374
SMILES
C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1
InChIKey
XQSPYNMVSIKCOC-NTSWFWBYSA-N
Chemical Structure
2D Structure
2D structure of Emtricitabine
CAS: 143491-57-0
CID: 60877
Formula: C8H10FN3O3S
MW: 247.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.25
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass247.04269053
Monoisotopic Mass247.04269053
Topological Polar Surface Area113 Ų
Heavy Atom Count16
Formal Charge0
Complexity374
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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