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Gemcitabine Impurity 32

CAT: 1596-AR-G02166-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-G02166-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
874638-98-9
Synonyms
N- (1- ((2R,3R,4R,5R) -3-fluoro-4-hydroxy-5- (hydroxymethyl) -3-methyltetrahydrofuran-2-yl) -2-oxo-1,2-dihydropyrimidin-4-yl) benzamide
Molecular Formula
C17H18FN3O5
Molecular Weight
363.35
API Name
Gemcitabine

Chemical Information

N-(1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyltetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide
CAS Number874638-98-9
PubChem CID118703497
IUPAC NameN-[1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Molecular FormulaC17H18FN3O5
Molecular Weight363.34
XLogP0.9
Topological Polar Surface Area111
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity634
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)CO)O)F
InChI
InChI=1S/C17H18FN3O5/c1-17(18)13(23)11(9-22)26-15(17)21-8-7-12(20-16(21)25)19-14(24)10-5-3-2-4-6-10/h2-8,11,13,15,22-23H,9H2,1H3,(H,19,20,24,25)/t11-,13-,15-,17-/m1/s1
InChIKey
FHQBHYHWKPVUEZ-WBMRYOJMSA-N
Chemical Structure
2D Structure
2D structure of N-(1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyltetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide
CAS: 874638-98-9
CID: 118703497
Formula: C17H18FN3O5
MW: 363.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.34
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass363.12304885
Monoisotopic Mass363.12304885
Topological Polar Surface Area111 Ų
Heavy Atom Count26
Formal Charge0
Complexity634
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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