Name: Eribulin mesylate
Rating: 5 (10 reviews)

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HIT ID:HIT213840449
Cas No:441045-17-6
常用名:Eribulin mesylate
别名:甲磺酸艾日布林, ER-086526 mesylate, E7389 mesylate, B1939 mesylate
别名:甲磺酸艾日布林, ER-086526 mesylate, E7389 mesylate, B1939 mesylate
IUPAC:(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1^{3,32}.1^{3,33}.1^{6,9}.1^{12,16}.0^{18,22}.0^{29,36}.0^{31,35}]hentetracontan-24-one; methanesulfonic acid
IUPAC:(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1^{3,32}.1^{3,33}.1^{6,9}.1^{12,16}.0^{18,22}.0^{29,36}.0^{31,35}]hentetracontan-24-one; methanesulfonic acid
InChI key:QAMYWGZHLCQOOJ-ATKXREKASA-N

分子式:C41H63NO14S
分子量:826.01
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CS(O)(=O)=O.[H][C@@]12O[C@@]3([H])CCC4CC(=O)C[C@H]5[C@H](C[C@H]6O[C@H](C[C@@H](C)C6=C)CC[C@@H]6O[C@H](CC6=C)CC[C@@]67C[C@@H](O[C@H]1[C@@H](O6)[C@@]3([H])O4)[C@@H]2O7)O[C@H](C[C@H](O)CN)[C@@H]5OC |TLB:37:38:42:7.8.45,39:38:42:7.8.45,40:48:42:7.8.45,41:40:49:6.42.43.44,41:42:39.40:49,47:45:42:38.48.49.44,THB:7:6:39.40:49,10:8:42:38.48.49.44,41:42:7.8.45:38.48.49.44,45:43:39.40:49|
SMILES:CS(O)(=O)=O.[H][C@@]12O[C@@]3([H])CCC4CC(=O)C[C@H]5[C@H](C[C@H]6O[C@H](C[C@@H](C)C6=C)CC[C@@H]6O[C@H](CC6=C)CC[C@@]67C[C@@H](O[C@H]1[C@@H](O6)[C@@]3([H])O4)[C@@H]2O7)O[C@H](C[C@H](O)CN)[C@@H]5OC |TLB:37:38:42:7.8.45,39:38:42:7.8.45,40:48:42:7.8.45,41:40:49:6.42.43.44,41:42:39.40:49,47:45:42:38.48.49.44,THB:7:6:39.40:49,10:8:42:38.48.49.44,41:42:7.8.45:38.48.49.44,45:43:39.40:49|

Eribulin Mesylate (GMP)是 Eribulin Mesylate 的 GMP 级别试剂。Eribulin Mesylate 是一种靶向微管的抗癌剂，通过结合微管蛋白和微管来抑制癌细胞的增殖，可研究转移性乳腺癌。

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