Product Name: Diazouracil (CAS NO.2435-76-9)
Molecular Formula: C4H2N4O2
Molecular Weight: 138.08g/mol
Mol File: 2435-76-9.mol
Einecs: 219-427-0
XLogP3-AA: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of Diazouracil (CAS NO.2435-76-9):
IUPAC Name: 5-diazonio-6-oxo-1H-pyrimidin-2-olate
Canonical SMILES: C1=C(C(=O)NC(=N1)[O-])[N+]#N
InChI: InChI=1S/C4H2N4O2/c5-8-2-1-6-4(10)7-3(2)9/h1H,(H-,6,7,9,10)
InChIKey: XFLJNCDBYCPPTE-UHFFFAOYSA-N
1. | dnd-sat 10 mg/L | MILEDM Microbios Letters. 1 (1976),169. | ||
2. | dnd-esc 10 mg/L | MILEDM Microbios Letters. 1 (1976),169. | ||
3. | dns-rat:lvr 50 µmol/L | CALEDQ Cancer Letters (Shannon, Ireland). 13 (1981),187. | ||
4. | ipr-mus LD50:30,800 µg/kg | NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN86 . | ||
5. | scu-mus LD10:22 mg/kg | EJCAAH European Journal of Cancer. 10 (1974),667. |
Reported in EPA TSCA Inventory.
Poison by subcutaneous and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Diazouracil ,its CAS NO. is 2435-76-9,the synonyms is (1,2,3)Oxadiazolo(5,4-d)pyrimidin-5(4H)-one ; 2,4-Diossi-5-diazopirimidina ; 2,6-Dioxo-5-diazopyrimidine ; 5-Diazo-2,4(1H,3H)-pyrimidinedione ; 5-Diazopyrimidine-2,4(3H)-dione ; 5-Diazouracil ; AI3-50857 ; CCRIS 6839 ; EINECS 219-427-0 ; NSC 23519 ; Uracil, 5-diazo- ; 2,4(3H,5H)-Pyrimidinedione, 5-diazo- .
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