| 物质名称 | ISOCAFFEINE |
|---|---|
| 异名/同义词 | 1,3,9-TRIMETHYL-3,9-DIHYDRO-1H-PURINE-2,6-DIONE 1,3,9-TRIMETHYLXANTHINE 1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1,3,9-TRIMETHYL- 3,9-DIHYDRO-1,3,9-TRIMETHYL-1H-PURINE-2,6-DIONE 9-METHYLTHEOPHYLLINE CAFFEINE IMPURITY C [EP IMPURITY] CAFFEINE MONOHYDRATE IMPURITY C [EP IMPURITY] ISOCAFFEINE NSC-28332 |
| CAS登记号 | 519-32-4 |
| 物质唯一标识(Unique Ingredient Identifier) | N4HG7T2QGW |
| 分子式 | C8H10N4O2 |
| 国际化合物标识(International Chemical Identifier,InChI) | LPHGQDQBBGAPDZ-UHFFFAOYSA-N |
| SMILES | c1(=O)n(c(c2ncn(c2n1C)C)=O)C |
| 分子结构式 |  |
| 欧洲化学品管理局注册号(ECHA) | 208-267-7 |
| 成分类型 | INGREDIENT SUBSTANCE / chemical |
| 关联数据 | |
| 扩展资源 |