128255-45-8 (3,3',4,4'-四甲基联苯,(Z)-4-Hydroxy Tamoxifen O-b-D-Glucuronide (~85%))

快速询单

结构式：

3,3',4,4'-四甲基联苯MOL文件

CAS号：

128255-45-8

中文名称：

3,3',4,4'-四甲基联苯

英文名称：

(Z)-4-Hydroxy Tamoxifen O-b-D-Glucuronide (~85%)

分子式：

C₃₂H₃₇NO₈

分子量：

563.638089895248

3,3',4,4'-四甲基联苯(128255-45-8)名称与标识符

名称

中文别名：

(2S,3S,4R,5R,6S)-3-[(Z)-1-[4-(2-二甲基氨基乙氧基)苯基]-2-苯基丁-1-烯基]-3,4,5-三羟基-6-(苯氧基)四氢吡喃-2-羧酸;3,3',4,4'-四甲基联苯;

英文别名：

b-D-Glucopyranosiduronic acid,4-[(1Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl;(Z)-4-Hydroxy Tamoxifen O-β-D-Glucuronide;4-hydroxytamoxifen beta-glucuronide;b-D-Glucopyranosiduronic acid,4-[(1Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1...;Phenyl 4-C-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenyl-1 -buten-1-yl]-β-D-glucopyranosiduronic acid;(Z)-4-[1-[4-[2-(DiMethylaMino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenyl β-D-Glucopyranosiduronic Acid;4-[(1Z)-1-[4-[2-(DiMethylaMino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenyl β-D-Glucopyranosiduronic Acid;128255-45-8;4-Htbg;(Z)-4-HYDROXY TAMOXIFEN O-BETA-D-GLUCURONIDE;(2S,3S,4R,5R,6S)-3-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid;

标识符

InChIKey：

SVFHAYXIYPCIFK-DKNZORBSSA-N

Inchi：

1S/C32H37NO8/c1-4-25(21-11-7-5-8-12-21)26(22-15-17-23(18-16-22)39-20-19-33(2)3)32(38)28(35)27(34)31(41-29(32)30(36)37)40-24-13-9-6-10-14-24/h5-18,27-29,31,34-35,38H,4,19-20H2,1-3H3,(H,36,37)/b26-25-/t27-,28-,29-,31-,32+/m1/s1

SMILES：

O1[C@H]([C@@H]([C@H]([C@@](/C(/C2C=CC(=CC=2)OCCN(C)C)=C(\C2C=CC=CC=2)/CC)([C@H]1C(=O)O)O)O)O)OC1C=CC=CC=1