| CAS登录号 | 中文名 | 英文名 | 分子结构式 | 分子式 | 详情 | 供应商 |
| 832-66-6 | 1,3,7,8-四甲基黄嘌呤 | 1-Methylcaffeine; 1,3,7,8-Tetramethylxanthine; 1,3,7,8-Tetramethylpurine-2,6-dione |  | C9H12N4O2 | 详情 | 供应商 |
| 78072-66-9 | 咖啡因-三甲基-13C3 | caffeine (TRIMETHYL-13C3); caffeine-13C3; caffeine (TRIMETHYL-13C3); caffeine-TRIMETHYL-13C3, 99 ATOM % 13C; caffeine-13C3 solution; caffeine-trimethyl-13C3 solution |  | C5(13C)3H10N4O2 | 详情 | 供应商 |
| 6335-98-4 | caffeine,8,8'-(ethylenedinitrosimino)di- (7CI,8CI); NSC 38888 |  | C18H22N12O6 | 详情 | 供应商 | |
| 5426-95-9 | caffeine,8,8'-heptamethylenedi- (8CI); NSC14418 |  | C23H32N8O4 | 详情 | 供应商 | |
| 519-32-4 | 1,3,9-四甲基黄嘌呤 | 1H-Purine-2,6-dione,3,9-dihydro-1,3,9-trimethyl-; Isocaffeine(6CI,7CI,8CI); 1,3,9-Trimethylxanthine; 9-Methyltheophylline; NSC 28332 |  | C8H10N4O2 | 详情 | 供应商 |
| 10381-82-5 | 1H-Purine-2,6-dione,8-bromo-3,7-dihydro-1,3,7-trimethyl-; caffeine,8-bromo- (6CI,7CI,8CI); 7-Methyl-8-bromotheophylline; 8-Bromo-1,3,7-trimethylxanthine; 8-Bromocaffeine; NSC 11255; Xanthobin |  | C8H9BrN4O2 | 详情 | 供应商 | |
| 6335-96-2 | 1H-Purine-2,6-dione,8-(butylamino)-3,7-dihydro-1,3,7-trimethyl-; caffeine,8-(butylamino)- (7CI,8CI); NSC 38885 |  | C12H19N5O2 | 详情 | 供应商 | |
| 5438-73-3 | 1H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-8-(1-methylethoxy)-; caffeine,8-isopropoxy- (7CI,8CI); NSC 14376 |  | C11H16N4O3 | 详情 | 供应商 | |
| 577-66-2 | 1H-Purine-2,6-dione,8-ethoxy-3,7-dihydro-1,3,7-trimethyl-; caffeine,8-ethoxy- (6CI,7CI,8CI); 1,3,7-Trimethyl-2,6-dioxo-8-ethoxypurine; 8-Ethoxycaffeine; EOC; NSC 8812 |  | C10H14N4O3 | 详情 | 供应商 | |
| 71411-94-4 | 1H-Purine-2,6-dione,8-(diethylamino)-3,7-dihydro-1,3,7-trimethyl-; 8-Diethylaminocaffeine |  | C12H19N5O2 | 详情 | 供应商 | |
| 114864-92-5 | 1H-Purine-2,6-dione,3,7-dihydro-8-[(2-hydroxyethyl)thio]-1,3,7-trimethyl-; caffeine,8-(2-hydroxyethylthio)- (6CI) |  | C10H14N4O3S | 详情 | 供应商 | |
| 4921-49-7 | 1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3,7-trimethyl-; caffeine,8-chloro- (6CI,7CI,8CI); 8-Chlorocaffeine; NSC 6277 |  | C8H9ClN4O2 | 详情 | 供应商 | |
| 7465-37-4 | 1H-Purine-2,6-dione,8-(cyclohexylthio)-3,9-dihydro-1,3,9-trimethyl-; Isocaffeine,8-(cyclohexylthio)- (6CI); NSC 400198 |  | C14H20N4O2S | 详情 | 供应商 | |
| 5436-38-4 | 1H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-8-(4-morpholinyl)-; caffeine,8-morpholino- (7CI); NSC 21709 |  | C12H17N5O3 | 详情 | 供应商 | |
| 5438-76-6 | 1H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-8-(2-methylpropoxy)-; 8-Isobutoxycaffeine; NSC 14380 |  | C12H18N4O3 | 详情 | 供应商 | |
| 7253-84-1 | 1H-Purine-2,6-dione,8-(hexylnitrosoamino)-3,7-dihydro-1,3,7-trimethyl-; caffeine,8-(hexylnitrosamino)- (7CI); caffeine, 8-(hexylnitrosoamino)- (8CI); NSC 23716 |  | C14H22N6O3 | 详情 | 供应商 | |
| 5638-41-5 | 1-Oxa-3,6,8-triazaspiro[4.4]nonane-2,4,7-trione,3,6-dimethyl-; Apocaffeine |  | C7H9N3O4 | 详情 | 供应商 | |
| 32086-89-8 | 1H-Purine-2,6-dione,3,7-dihydro-8-(1-hydroxyethyl)-1,3,7-trimethyl-; caffeine,8-(1-hydroxyethyl)- (6CI,8CI); 8-(a-Hydroxyethyl)caffeine; NSC 36520 |  | C10H14N4O3 | 详情 | 供应商 | |
| 4921-51-1 | 1H-Purine-2,6-dione,3,7-dihydro-8-(hydroxymethyl)-1,3,7-trimethyl-; caffeine,8-(hydroxymethyl)- (7CI,8CI); NSC 36528 |  | C9H12N4O3 | 详情 | 供应商 |
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