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Azacitidine

CAT: 1596-AR-A03050-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A03050-01Size:10 Units
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CAS Number
320-67-2
Synonyms
4-amino-1- ((2R,3R,4S,5R) -3,4-dihydroxy-5- (hydroxymethyl) tetrahydrofuran-2-yl) -1,3,5-triazin-2 (1H) -one; 5-Azacytidine; Azacitidine; 4-Amino-1-?-D-ribofuranosyl-1,3,5-triazin-2 (1H) -one; 5-AC; 5-AZC; 5-AZCR; 5-AzaC; Antibiotic U 18496; Azacytidine; Ladakamycin; Ledakamycin; Mylosar; NSC 102816; NSC 103-627; U 18496; Vidaza; WR 183027
Molecular Formula
C8H12N4O5
Molecular Weight
244.21
API Name
Azacitidine

Chemical Information

Azacytidine

Azacitidine can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).

CAS Number320-67-2
PubChem CID9444
IUPAC Name4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
Molecular FormulaC8H12N4O5
Molecular Weight244.20
XLogP-2.2
Topological Polar Surface Area141
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity384
SMILES
C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N
InChI
InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
InChIKey
NMUSYJAQQFHJEW-KVTDHHQDSA-N
Chemical Structure
2D Structure
2D structure of Azacytidine
CAS: 320-67-2
CID: 9444
Formula: C8H12N4O5
MW: 244.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight244.20
XLogP3-2.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass244.08076950
Monoisotopic Mass244.08076950
Topological Polar Surface Area141 Ų
Heavy Atom Count17
Formal Charge0
Complexity384
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