钆贝葡胺

pro_cas
12700-20-8 ;127000-20-8
pro_cdbregno
CCD00246919
pro_formula
C22 H28 Gd N3 O11 . 2 C7 H17 N O5
pro_molWeight
1058.15

basic_info

Product_Name: 钆贝葡胺
CAS: 12700-20-8 ;127000-20-8
中文同义词: 钆贝葡胺
EnglishSynonyms: GADOBENATE DIMEGLUMINE
pro_mdlNumber: MFCD01725470
pro_acceptors: 14
pro_donors: 2
pro_smile: CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.c1ccc(cc1)COCC2C(=O)O[Gd]3OC(=O)CN(CCN2CC(=O)O3)CCN(CC(=O)O)CC(=O)O
InChi: InChI=1S/C22H31N3O11.2C7H17NO5.Gd/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1
InChiKey: InChIKey=OCDAWJYGVOLXGZ-VPVMAENOSA-K

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