5-溴-4-氯-3-吲哚基-beta-D-葡糖苷酸环己胺盐

CAS号
114162-64-0
CCD编号
CCD02000658
分子式
C14 H13 Br Cl N O7 . C6 H13 N . H2 O
分子量
539.804

基本信息

产品名称: 5-溴-4-氯-3-吲哚基-beta-D-葡糖苷酸环己胺盐
CAS: 114162-64-0
中文同义词: 5-溴-4-氯-3-吲哚基-beta-D-葡糖苷酸环己胺盐
英文同义词: X-BETA-D-GLCUA DCHA H2O ; 5-BROMO-4-CHLORO-3-INDOXYL-BETA-D-GLUCURONIC ACID CYCLOHEXYLAMINE MONOHYDRATE ; 5-BROMO-4-CHLORO-3-INDOXYL-BETA-D-GLUCURONIC ACID, CYCLOHEXYLAMMONIUM SALT MONOHYDRATE ; 5-BROMO-4-CHLORO-3-INDOLYL-BETA-D-GLUCURONIDE CYCLOHEXYLAMMONIUM SALT HYDRATE ; X-BETA-D-GLUCURONIDE CYCLOHEXYLAMMONIUM SALT MONOHYDRATE ; X-GLUC CYCLOHEXYLAMMONIUM SALT HYDRATE ; X-GLUC ; X-BETA-D-GLCA CHX SALT MONOHYDRATE ; X-BETA-D-GLUCURONIDE CHX-SALT MONOHYDRATE
MDL号: MFCD13185253
氢键受体数量: 8
氢键供体数量: 5
Smile: c1cc(c(c2c1[nH]cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl)Br.C1CCC(CC1)N.O
InChi: InChI=1S/C14H13BrClNO7.C6H13N.H2O/c15-4-1-2-5-7(8(4)16)6(3-17-5)23-14-11(20)9(18)10(19)12(24-14)13(21)22;7-6-4-2-1-3-5-6;/h1-3,9-12,14,17-20H,(H,21,22);6H,1-5,7H2;1H2/t9-,10-,11+,12-,14+;;/m0../s1
InChiKey: InChIKey=OMJGCRHKCXJGSX-ZSRZBWJVSA-N

性质

熔点: 230 DEG C
注解: HAZARD: S24/25
TSCA: Y

安全信息

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