(E)-3-(benzoylthio)-4-(N-((6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl)formamido)pent-3-en-1-yl benzoate 二苯甲酰硫胺素
CAS 299-88-7 MFCD00867787
化学结构图
SMILES: CC(=C(CCOC(=O)c1ccccc1)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N
化学属性
| Mol. Formula | C26H26N4O4S |
|---|---|
| Mol. Weight | 490.58 |
别名和识别编码
| Chemical Name | (E)-3-(benzoylthio)-4-(N-((6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl)formamido)pent-3-en-1-yl benzoate |
|---|---|
| MDL Number | MFCD00867787 |
| CAS Number | 299-88-7 |
| Synonym | Bentiamine DBT Dibenzoyl thiamine Dibenzoylthiamine O,S-Bis(benzoyl)thiamine disulfide O,S-Dibenzoylthiamine Thiamine, O,S-dibenzoyl-, bentiamine dibenzoylthiamine |
| Reaxys-RN | 66196 |
| PubChem Substance ID | 3036235 |
| Chemical Name Translation | 二苯甲酰硫胺素 |
| LabNetwork Molecule ID | LN01745789 |
| InChI | InChI=1S/C26H26N4O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29)/b23-18- |
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分类
- {SNA} Building Blocks, C12 to C30+, Chemical Synthesis, Heterocyclic Building Blocks, Pyrimidines
安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 7480 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 62,123,1966
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2120 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 62,123,1966
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