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2169-64-4

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Basic Information
CAS No.: 2169-64-4
Name: 6-AZAURIDINE 2',3',5'-TRIACETATE
Article Data: 20
Molecular Structure:
Molecular Structure of 2169-64-4 (6-AZAURIDINE 2',3',5'-TRIACETATE)
Formula: C14H17 N3 O9
Molecular Weight: 371.304
Synonyms: as-Triazine-3,5(2H,4H)-dione,2-b-D-ribofuranosyl-,2',3',5'-triacetate (7CI,8CI); 2',3',5'-Tri-O-acetyl-6-azauridine;6-Aza-2',3',5'-tri-O-acetyluridine; 6-Azauridine triacetate; Azaribin;Azaribine; CB 304; NSC 67239; Triazure
Density: 1.6g/cm3
Melting Point: 99-101 °C(lit.)
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: 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.
PSA: 155.88000
LogP: -1.74450
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Chemistry

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

Toxicity Data With Reference

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 Profile

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.

Specification

  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.