3-[4-[4-(氨基磺酰基)苯基]-5-甲基-3-異惡唑基]苯磺酰胺 基本信息
| 中文名稱 | 3-[4-[4-(氨基磺?；?苯基]-5-甲基-3-異惡唑基]苯磺酰胺 |
|---|---|
| 中文同義詞 | 帕瑞昔布鈉雜質(zhì)14;帕瑞昔布鈉雜質(zhì)13;中間體有關(guān)工藝雜質(zhì);3-[4-[4-(氨基磺?；?苯基]-5-甲基-3-異惡唑基]苯磺酰胺;帕瑞昔布鈉雜質(zhì)H;4-[5-甲基-3-(2-磺酰胺基)苯基-異噁唑基]苯磺酰胺;帕瑞昔布鈉雜質(zhì)PR-12-N;帕瑞昔布標(biāo)準(zhǔn)品007 |
| 英文名稱 | BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Methyl-3-isoxazolyl]- |
| 英文同義詞 | BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Methyl-3-isoxazolyl]-;3-[4-[4-(Aminosulfonyl)phenyl]-5-methyl-3-isoxazolyl]benzenesulfonamide;3-[5-Methyl-4-(4-sulfamoylphenyl)-1,2-oxazol-3-yl]benzenesulfonamide;Parecoxib SodiuM iMpurity PR-12-E;3,3'-(5-methylisoxazole-3,4-diyl)dibenzenesulfonamide;Parecoxib-007;Parecoxib Impurity 34;Parecoxib impurity 8/3-(5-Methyl-4-(4-sulfamoylphenyl)isoxazol-3-yl)benzenesulfonamide |
| CAS號(hào) | 1373038-59-5 |
| 分子式 | C16H15N3O5S2 |
| 分子量 | 393.44 |
| EINECS號(hào) | |
| 相關(guān)類別 | 帕瑞昔布雜質(zhì);帕瑞昔布鈉雜質(zhì);標(biāo)準(zhǔn)品;對(duì)照品-雜質(zhì)對(duì)照品;雜質(zhì)對(duì)照品;雜質(zhì)-帕瑞昔布鈉;073-帕瑞昔布鈉 |
| Mol文件 | 1373038-59-5.mol |
| 結(jié)構(gòu)式 | ![3-[4-[4-(氨基磺?；?苯基]-5-甲基-3-異惡唑基]苯磺酰胺 結(jié)構(gòu)式](CAS/20150408/GIF/1373038-59-5.gif) |
3-[4-[4-(氨基磺酰基)苯基]-5-甲基-3-異惡唑基]苯磺酰胺 性質(zhì)
| 沸點(diǎn) | 633.6±65.0 °C(Predicted) |
|---|---|
| 密度 | 1.456±0.06 g/cm3(Predicted) |
| 酸度系數(shù)(pKa) | 9.68±0.60(Predicted) |
| InChI | InChI=1S/C16H15N3O5S2/c1-10-15(11-5-7-13(8-6-11)25(17,20)21)16(19-24-10)12-3-2-4-14(9-12)26(18,22)23/h2-9H,1H3,(H2,17,20,21)(H2,18,22,23) |
| InChIKey | ZTJZYTUGYRMBJV-UHFFFAOYSA-N |
| SMILES | C1(S(N)(=O)=O)=CC=CC(C2C(C3=CC=C(S(N)(=O)=O)C=C3)=C(C)ON=2)=C1 |
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