FDA全球物质注册数据库（FDA Global Substance Registration System）
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
国际化合物标识(International Chemical Identifier,InChI)C8H10N4O2
SMILESLPHGQDQBBGAPDZ-UHFFFAOYSA-N
分子结构式
欧洲化学品管理局注册号(ECHA)
成分类型c1(=O)n(c(c2ncn(c2n1C)C)=O)C / INGREDIENT SUBSTANCE
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