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54-25-1

Basic Information
CAS No.: 54-25-1
Name: 6-AZAURIDINE
Article Data: 16
Molecular Structure:
Molecular Structure of 54-25-1 (6-AZAURIDINE)
Formula: C8H11 N3 O6
Molecular Weight: 245.192
Synonyms: as-Triazine-3,5(2H,4H)-dione,2-b-D-ribofuranosyl- (6CI,7CI,8CI);2-b-D-Ribofuranosyl-as-triazine-3,5(2H,4H)-dione;6-Azauracil 1-riboside; 6-Azauracil riboside; 6-Azauracil-b-D-riboside; 6-Azauridine;6-Azur; 6-Azuridine; AzUR; Azauridine; NSC 32074; Rib-Azauracil; Ribo-azuracil;Riboazauracil; ribo-Azauracil
EINECS: 200-199-6
Density: 2.08 g/cm3
Melting Point: 157-159 °C(lit.)
Boiling Point: °Cat760mmHg
Flash Point: °C
Solubility: It is soluble in water.
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-40
Safety: Moderately toxic by intraperitoneal route. Human teratogenic effects by intravenous route: unspecified developmental abnormalities or effects on the embryo or fetus. An experimental teratogen. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. Used as an antineoplastic agent.
PSA: 137.67000
LogP: -3.45690
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Chemistry

Molecular Formula: C8H11N3O6
Molar mass: 245.1894 g/mol
EINECS: 200-199-6
Density: 2.08 g/cm3
Index of Refraction: 1.795
Melting point: 157-159 °C(lit.)
Storage temp: 2-8°C
Product categories of 6-Azauridine (CAS NO.54-25-1): Biochemistry;Antibiotic Explorer;Nucleosides and their analogs;Pyridines, Pyrimidines, Purines and Pteredines;Nucleosides, Nucleotides & Related Reagents
Structure of 6-Azauridine (CAS NO.54-25-1):
       
XLogP3-AA: -2.1
H-Bond Donor: 4
H-Bond Acceptor: 7
IUPAC Name: 2-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
Canonical SMILES: C1=NN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
InChI: InChI=1S/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16) 
InChIKey: WYXSYVWAUAUWLD-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

sln-dmg-par 20 mmol/L

    BCPCA6    Biochemical Pharmacology. 15 (1966),299.
2.    

spm-rat-ipr 2 g/kg

    CEFYAD    Ceskoslovenska Fysiologie. 21 (1972),278.
3.    

dni-mus-ipr 3 g/kg

    NEOLA4    Neoplasma. 20 (1973),243.
4.    

spm-mus-ipr 5 g/kg

    CEFYAD    Ceskoslovenska Fysiologie. 21 (1972),278.
5.    

ivn-wmn TDLo:150 mg/kg (47D preg):TER

    CLPTAT    Clinical Pharmacology and Therapeutics. 7 (1966),162.
6.    

ipr-rat LD50:9400 mg/kg

    TJADAB    Teratology, A Journal of Abnormal Development. 4 (1971),287.
7.    

ipr-mus LD50:11,250 mg/kg

    BCPCA6    Biochemical Pharmacology. 14 (1965),1517.
8.    

ipr-dog LD50:3400 mg/kg

    BCPCA6    Biochemical Pharmacology. 14 (1965),1537.
9.    

ipr-cat LD50:2400 mg/kg

    BCPCA6    Biochemical Pharmacology. 14 (1965),1537.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Moderately toxic by intraperitoneal route. Human teratogenic effects by intravenous route: unspecified developmental abnormalities or effects on the embryo or fetus. An experimental teratogen. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. Used as an antineoplastic agent.
Hazard Codes: HarmfulXn
Risk Statements:
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R40:Limited evidence of a carcinogenic effect.
Safety Statements:
S22:Do not breathe dust. 
S36:Wear suitable protective clothing.

Specification

 6-Azauridine ,its cas register number is 54-25-1. It also can be called 6-Azauracil Ribozide ; ribo-Azauracil ; 2-(beta-D-Ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione ; 2-b-D-Ribofuranosyl-1,2,4-triazine-3,5(2H,4H)-dione ; 2-((2R,3R,4S,5R)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2H--[1,2,4]triazine-3,5-dione and 1,2,4-triazine-3,5(2H,4H)-dione, 2-beta-D-ribofuranosyl- .