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Azacitidine Impurity 3

CAS No.
157771-77-2
Chemical Name:
Azacitidine Impurity 3
Synonyms
α-Azacitidine;Azacitidine α-Isomer;Azacitidine Impurity 17;Azacitidine α-Isomer Impurity;1,3,5-Triazin-2(1H)-one, 4-amino-1-α-D-ribofuranosyl-;4-amino-1-((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,3,5-triazin-2(1H)-one;4-amino-1-((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,3,5-triazin-2(1H)-one? (Azacitidine Impurity)
CBNumber:
CB93359043
Molecular Formula:
C8H12N4O5
Molecular Weight:
244.21
MDL Number:
MOL File:
157771-77-2.mol
Last updated:2025-07-04 15:03:25

Azacitidine Impurity 3 Properties

Boiling point 534.5±60.0 °C(Predicted)
Density 2.08±0.1 g/cm3(Predicted)
pka 13.46±0.70(Predicted)
InChI InChI=1/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+/s3
InChIKey NMUSYJAQQFHJEW-ABLKVOORNA-N
SMILES O[C@@H]1[C@@H]([C@@H](CO)O[C@@H]1N1C=NC(N)=NC1=O)O |&1:1,2,3,7,r|

Azacitidine Impurity 3 Chemical Properties,Uses,Production

Uses

α- Azacitidine is an impurity for Azacitidine (A796000), used in preparation of quinuclidinone derivatives to treat cancer, a cytotoxic agent.

Azacitidine Impurity 3 Preparation Products And Raw materials

Raw materials

Preparation Products

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4-amino-1-((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,3,5-triazin-2(1H)-one Azacitidine Impurity 17 Azacitidine α-Isomer α-Azacitidine 4-amino-1-((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,3,5-triazin-2(1H)-one? (Azacitidine Impurity) 1,3,5-Triazin-2(1H)-one, 4-amino-1-α-D-ribofuranosyl- Azacitidine α-Isomer Impurity 157771-77-2