3-Amino-1,2,4-Benzotriazine-1-Oxide -
CAS 5424-06-6 MFCD00024038
化学结构图
SMILES: Nc1nc2ccccc2[n+]([O-])n1
化学属性
| Mol. Formula | C7 H6 N4 O |
|---|---|
| Mol. Weight | 162.15 |
| Melting Point | >223ºC (dec.) |
| Boiling Point | - |
| Flash Point | - |
别名和识别编码
| Chemical Name | 3-Amino-1,2,4-Benzotriazine-1-Oxide |
|---|---|
| CAS Number | 5424-06-6 |
| Synonym | 1,2,4-Benzotriazin-3-amine 1-Oxide 3-Amino-1,2,4-benzotriazine-1-N-oxide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {TRC} 4-Desoxytirapazamine |
| MDL Number | - |
| Chemical Name Translation | - |
| InChIKey | BBRWGJRKAHEZBG-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00327736 |
| PubChem Substance ID | 79470 |
| InChI | InChI=1S/C7H6N4O/c8-7-9-5-3-1-2-4-6(5)11(12)10-7/h1-4H,(H2,8,9,10) |
| Canonical SMILES | - |
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分类
- Amines
- Aromatics
- Heterocycles
- Intermediates
- Nitric Oxide Reagents
产品应用
- An intermediate in the synthesis of Tirapazamine, a bioreductive anticancer agent.
相关文献及参考
- Delahoussaye, Y., et al.: Biochem. Pharmacol., 62, 1201 (2001),
- Chowdhury, G., et al.: Chem. Res. Toxicol., 17, 1399 (2004),
- Nakashima, H., et al.: Bioorg. Med. Chem., 16, 8661 (2008),
