GADOLINIUM(III) 5,8-BIS(CARBOXYLATOMETHYL)-2-(2-(METHYLAMINO)-2-OXOETHYL)-10-OXO-2,5,8,11-TETRAAZADODECANE-1-CARBOXYLATE

CAS号
131410-48-5
CCD编号
CCD01960137
分子式
C16 H26 Gd N5 O8
分子量
573.658

基本信息

产品名称: GADOLINIUM(III) 5,8-BIS(CARBOXYLATOMETHYL)-2-(2-(METHYLAMINO)-2-OXOETHYL)-10-OXO-2,5,8,11-TETRAAZADODECANE-1-CARBOXYLATE
CAS: 131410-48-5
英文同义词: GADOLINIUM(III) 5,8-BIS(CARBOXYLATOMETHYL)-2-(2-(METHYLAMINO)-2-OXOETHYL)-10-OXO-2,5,8,11-TETRAAZADODECANE-1-CARBOXYLATE
MDL号: MFCD12912458
氢键受体数量: 13
氢键供体数量: 2
Smile: CNC(=O)CN1CCN2CCN(CC(=O)O[Gd](OC(=O)C2)OC(=O)C1)CC(=O)NC
InChi: InChI=1S/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3
InChiKey: InChIKey=HZHFFEYYPYZMNU-UHFFFAOYSA-K

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