| Identification | Back Directory | [Name]
Cyano temozolomide | [CAS]
114601-31-9 | [Synonyms]
Temozolomide EP Impurity C
Temozolomide Cyano Impurity
Temozolomide Impurity 3(EP-C)
8-Descarboxamido-8-cyano Temozolomide
Temozolomide Impurity 3（Temozolomide EP Impurity C）
Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carbonitrile, 3,4-dihydro-3-methyl-4-oxo- | [Molecular Formula]
C6H4N6O | [MOL File]
114601-31-9.mol | [Molecular Weight]
176.14 |
| Chemical Properties | Back Directory | [Boiling point ]
415.3±37.0 °C(Predicted) | [density ]
1.74±0.1 g/cm3(Predicted) | [solubility ]
Acetone (Slightly), DMSO (Sparingly), Ethyl Acetate (Slightly), Methanol | [form ]
Solid | [pka]
-1.85±0.20(Predicted) | [color ]
Pale Yellow to Pale Brown | [InChI]
InChI=1S/C6H4N6O/c1-11-6(13)12-3-8-4(2-7)5(12)9-10-11/h3H,1H3 | [InChIKey]
VVSHZIRQNZADET-UHFFFAOYSA-N | [SMILES]
N1(C)C(=O)N2C=NC(C#N)=C2N=N1 |
| Hazard Information | Back Directory | [Description]
Cyano temozolomide is an impurity of temozolomide, a cytotoxic antitumour prodrug targeting malignant brain tumours. | [Uses]
8-Descarboxamido-8-cyano Temozolomide is a useful synthetic intermediate in the synthesis of Temozolomide (T017775); an imidazotetrazine alkylating agent and antineoplastic. |
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