TP-434 基本信息
中文名稱(chēng) | TP-434 |
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中文同義詞 | 依拉環(huán)素;化合物 T11227;伊拉瓦環(huán)素;替加環(huán)素雜質(zhì)39;依垃環(huán)素;依拉環(huán)素雜質(zhì) |
英文名稱(chēng) | Eravacycline |
英文同義詞 | TP-434;TP-434(Eravacycline);4-Dimethylamino-7-fluoro-3,10,12,12a-tetrahydroxy-1,11-dioxo-9-(2-pyrrolidin-1-yl-cetylamino)-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide (ERAVACYCLINE);1-Pyrrolidineacetamide, N-[(5aR,6aS,7S,10aS)-9-(aminocarbonyl)-7-(dimethylamino)-4-fluoro-5,5a,6,6a,7,10,10a,12-octahydro-1,8,10a,11-tetrahydroxy-10,12-dioxo-2-naphthacenyl]-;ERAVACYCLINE; TP434; TP 434;Eravacycline TP-434;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(2-pyrrolidin-1-ylacetyl)amino]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;TP-434 dihydrochloride |
CAS號(hào) | 1207283-85-9 |
分子式 | C27H31FN4O8 |
分子量 | 558.56 |
EINECS號(hào) | |
相關(guān)類(lèi)別 | 抑制劑;精細(xì)化工產(chǎn)品;試劑 |
Mol文件 | 1207283-85-9.mol |
結(jié)構(gòu)式 | ![]() |
TP-434 性質(zhì)
沸點(diǎn) | 868.1±65.0 °C(Predicted) |
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密度 | 1.60±0.1 g/cm3(Predicted) |
儲(chǔ)存條件 | Amber Vial, -20°C Freezer, Under inert atmosphere |
酸度系數(shù)(pKa) | 4.50±1.00(Predicted) |
水溶解性 | Water : 50 mg/mL (79.18 mM) |
InChIKey | HLFSMUUOKPBTSM-ISIOAQNYSA-N |
SMILES | N1(CC(NC2=CC(F)=C3C(=C2O)C(=O)C2[C@]([H])(C[C@]4([H])[C@](O)(C=2O)C(=O)C(C(N)=O)=C(O)[C@H]4N(C)C)C3)=O)CCCC1 |