6-AZAURIDINE 2',3',5'-TRIACETATE

Molecular Structure of Azaribine (CAS NO. 2169-64-4):

EINECS: 218-515-6
IUPAC Name: [(2R,3R,4R,5R)-4-Acetyloxy-2-(acetyloxymethyl)-5-(3,5-dioxo-1,2,4-triazin-2-yl)oxolan-3-yl] acetate
Molecular Formula: C₁₄H₁₇N₃O₉
Molecular Weight: 371.299480 g/mol
XLogP3: -0.2
H-Bond Donor: 1
H-Bond Acceptor: 10
Canonical SMILES: CC(=O)OCC1C(C(C(O1)N2C(=O)NC(=O)C=N2)OC(=O)C)OC(=O)C
Isomeric SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)C=N2)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H17N3O9/c1-6(18)23-5-9-11(24-7(2)19)12(25-8(3)20)13(26-9)17-14(22)16-10(21)4-15-17/h4,9,11-13H,5H2,1-3H3,(H,16,21,22)/t9-,11-,12-,13-/m1/s1
InChIKey: QQOBRRFOVWGIMD-OJAKKHQRSA-N
Index of Refraction: 1.621
Molar Refractivity: 81.29 cm³
Molar Volume: 230.9 cm³
Surface Tension: 59.5 dyne/cm
Density: 1.6 g/cm³
Melting Point: 99-101 °C(lit.)
BRN: 0631776

Safety Information of Azaribine (CAS NO. 2169-64-4):
Safety Statements: 22-24/25
S22:Do not breathe dust
S24/25:Avoid contact with skin and eyes
WGK Germany: 2
RTECS: XY8577000
Mildly toxic by ingestion. Human systemic effects by ingestion: somnolence, convulsions or effect on seizure threshold, and cell count changes. When heated to decomposition it emits toxic fumes of NO_x. Used to treat psoriasis.

  Azaribine with cas registry number of 2169-64-4 is white to off-white powder, also called for 2',3',5'-Tri-O-acetyl-6-azauridine ; 2',3',5'-Triacetyl-6-azauridine ; 2-(2',3',5'-Triacetyl-beta-D-ribofuranosyl)-as-triazine-3,5-(2H,4H)-dione ; 2-(beta-D-ribofuranosyl)-1,2,4-triazin-3,5(2H,4H)-dion 2',3',5'-triacetat ; 2-beta-D-Ribofuranosyl-as-triazine-3,5(2H,4H)-dione 2',3',5'-triacetate ; 6-AzUR TA ; 6-AzUR-TA ; 6-Azauracilribosid-triacetat ; 6-Azauridin-triacetat ; 6-Azauridine 2',3',5'-triacetate ; AI3-52937 ; AZR ; Azaribin ; Azaribina ; Azaribina [INN-Spanish] ; Azaribine [USAN:INN:BAN] ; Azaribinum ; Azaribinum [INN-Latin] ; Azauridine triacetate ; CB 304 ; NSC 67239 ; NSC-67239 ; SKI 28426 ; TA-Azur ; Triacetyl-6-azauridine ; Triacetyl-6-azuridine ; Triazure ; UNII-K1U80DO9EB ; 1,2,4-Triazine-3,5(2H,4H)-dione, 2-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)- ; as-Triazine-3,5(2H,4H)-dione, 2-beta-D-ribofuranosyl-, 2',3',5'-triacetate (8CI) ; as-Triazine-3,5-(2H,4H)-dione, 2-(2',3',5'-triacetyl-beta-D-ribofuranosyl)- ; as-Triazine-3,5(2H,4H)-dione, 2-beta-D-ribofuranosyl-, triacetate . When heated to decomposition, it yields irritating and toxic fumes and gases.