Name: Vinflunine Tartrate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212655015
Cas No:1201898-17-0
常用名:Vinflunine Tartrate
别名:长春氟宁酒石酸盐
IUPAC:(2R,3R)-2,3-dihydroxybutanedioic acid; methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-[(12S,14R,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0^{3,11}.0^{4,9}]octadeca-3(11),4,6,8-tetraen-12-yl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,13-tetraene-10-carboxylate
IUPAC:(2R,3R)-2,3-dihydroxybutanedioic acid; methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-[(12S,14R,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0^{3,11}.0^{4,9}]octadeca-3(11),4,6,8-tetraen-12-yl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,13-tetraene-10-carboxylate
InChI key:TXONSEMUKVZUON-SYVFVGEFSA-N

分子式:C49H60F2N4O14
分子量:967.03
氢键供体数 (HBD):2
氢键受体数 (HBA):8
LogP:4.6458116
SMILES:O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c1cc(OC)c(cc41)[C@]1(C[C@H]3C[C@H](CN(C3)Cc3c1[nH]c1ccccc31)C(C)(F)F)C(=O)OC)[C@](O)([C@@H]2OC(C)=O)C(=O)OC |c:12|
SMILES:O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c1cc(OC)c(cc41)[C@]1(C[C@H]3C[C@H](CN(C3)Cc3c1[nH]c1ccccc31)C(C)(F)F)C(=O)OC)[C@](O)([C@@H]2OC(C)=O)C(=O)OC |c:12|

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