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
1. | orl-hmn TDLo:5670 mg/kg/6W:CNS,BLD | AJOGAH American Journal of Obstetrics and Gynecology. 108 (1970),272. | ||
2. | orl-rat LD50:12 g/kg | TXAPA9 Toxicology and Applied Pharmacology. 17 (1970),511. | ||
3. | orl-mus LD50:7800 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 17 (1970),511. |
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 NOx. 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.
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