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Galocitabine

CAT: 0931-T27399-07Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T27399-07Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
124012-42-6
Target
DNA/RNA Synthesis, Others
Related Pathways
DNA Damage/DNA Repair, Cell Cycle/Checkpoint, Others
Purity
0.9989
Bioactivity
Galocitabine (Neofrutulon), a thymidylate synthase inhibitor, is used potentially for the treatment of cancer.
Smiles
O[C@H]1[C@@H](O[C@H](C)[C@H]1O)N2C(=O)N=C(NC(=O)C3=CC(OC)=C(OC)C(OC)=C3)C(F)=C2
Molecular Formula
C19H22FN3O8
Molecular Weight
439.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Galocitabine

Galocitabine is a small molecule drug. The usage of the INN stem '-citabine' in the name indicates that Galocitabine is a nucleoside antiviral or antineoplastic agent, cytarabine or azacitidine derivative. Galocitabine has a monoisotopic molecular weight of 439.14 Da.

CAS Number124012-42-6
PubChem CID65950
IUPAC NameN-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3,4,5-trimethoxybenzamide
Molecular FormulaC19H22FN3O8
Molecular Weight439.4
XLogP-0.1
Topological Polar Surface Area139
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity748
SMILES
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)F)O)O
InChI
InChI=1S/C19H22FN3O8/c1-8-13(24)14(25)18(31-8)23-7-10(20)16(22-19(23)27)21-17(26)9-5-11(28-2)15(30-4)12(6-9)29-3/h5-8,13-14,18,24-25H,1-4H3,(H,21,22,26,27)/t8-,13-,14-,18-/m1/s1
InChIKey
TVYPSLDUBVTDIS-FUOMVGGVSA-N
Chemical Structure
2D Structure
2D structure of Galocitabine
CAS: 124012-42-6
CID: 65950
Formula: C19H22FN3O8
MW: 439.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.4
XLogP3-0.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass439.13909283
Monoisotopic Mass439.13909283
Topological Polar Surface Area139 Ų
Heavy Atom Count31
Formal Charge0
Complexity748
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

Alternative Products

CatalogName
BUP12326-01Galocitabine

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