GADOFOSVESET SODIUM

CAS号
193901-90-5
CCD编号
CCD01967769
分子式
C33 H38 N3 O14 P . Gd . 3 Na
分子量
957.864

基本信息

产品名称: GADOFOSVESET SODIUM
CAS: 193901-90-5
英文同义词: GADOFOSVESET TRISODIUM ; VASOVIST TRISODIUM ; GADOFOSVESET SODIUM
MDL号: MFCD13152015
氢键受体数量: 17
氢键供体数量: 0
Smile: c1ccc(cc1)C2(CCC(CC2)OP(=O)([O-])OC[C@@H](CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])c3ccccc3.[Na+].[Na+].[Na+].[Gd+3]
InChi: InChI=1S/C33H44N3O14P.Gd.3Na/c37-28(38)18-34(15-16-35(19-29(39)40)20-30(41)42)17-26(36(21-31(43)44)22-32(45)46)23-49-51(47,48)50-27-11-13-33(14-12-27,24-7-3-1-4-8-24)25-9-5-2-6-10-25;;;;/h1-10,26-27H,11-23H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48);;;;/q;+3;3*+1/p-6/t26-;;;;/m1..../s1
InChiKey: InChIKey=XGOSYNSWSRUASG-SSMZTGFVSA-H

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