基本信息 |
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产品名称: | 二盐酸吐根碱 |
CAS: | 316-42-7 ;7083-71-8 ;313222-95-6 |
中文同义词: | 二盐酸吐根碱 ; (+)-吐根素二盐酸盐水合物 |
英文同义词: | (+)-EMETINE DIHYDROCHLORIDE HYDRATE ; EMETINE DIHYDROCHLORIDE HYDRATE |
MDL号: | MFCD00149309 |
氢键受体数量: | 6 |
氢键供体数量: | 1 |
Smile: | CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC.O.Cl.Cl |
InChi: | InChI=1S/C29H40N2O4.2ClH.H2O/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;2*1H;1H2/t18-,21-,24+,25-;;;/m0.../s1 |
InChiKey: | InChIKey=IZTPMTAWOCEKKM-VXMYZLRESA-N |
性质 |
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熔点: | 235 DEG C (DEC)(LIT) |
注解: | OPTICAL ACTIVITY: [ALPHA]25/D +9.0 DEG, C = 1 IN H2O RIDADR: UN 1544 6.1/PG 2 UNSPSC: 12352100 WGK: 3 |
安全信息 |
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WGK德国: | 3 |
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