GADOBENATE DIMEGLUMINE
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Product Description
Product
GADOBENATE DIMEGLUMINE
CAS
127000-20-8
Formula
C36H62GdN5O21; C22H28GdN3O11.2C7H17NO5
Synonym
GADOBENATE DIMEGLUMINE; Gadobenate M; B 1903617; B19036/7; Dihydrogen ((+-)-4-carboxy-5,8,11-tris(carboxymethyl)-1-phenyl-2-oxa-5,8,11-triazatridecan-13-oato(5-))gadolinate(2-), compound with 1-deoxy-1-(methylamino)-D-glucitol (1:2)
Typical Product Specifications
SMILES
[H+].[H+].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+3]345678N2(CCN3(CCN4(CC(=O)[O-]5)CC(=O)[O-]6)CC(=O)[O-]7)CC(=O)[O-]8
InChI
OCDAWJYGVOLXGZ-VPVMAENOSA-K
InChIKey
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;;;+
Class
Industry
Functions
GADOBENATE DIMEGLUMINE
Product Description
Product
GADOBENATE DIMEGLUMINE
CAS
127000-20-8
Formula
C36H62GdN5O21; C22H28GdN3O11.2C7H17NO5
Synonym
GADOBENATE DIMEGLUMINE; Gadobenate M; B 1903617; B19036/7; Dihydrogen ((+-)-4-carboxy-5,8,11-tris(carboxymethyl)-1-phenyl-2-oxa-5,8,11-triazatridecan-13-oato(5-))gadolinate(2-), compound with 1-deoxy-1-(methylamino)-D-glucitol (1:2)
Typical Product Specifications
SMILES
[H+].[H+].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+3]345678N2(CCN3(CCN4(CC(=O)[O-]5)CC(=O)[O-]6)CC(=O)[O-]7)CC(=O)[O-]8
InChI
OCDAWJYGVOLXGZ-VPVMAENOSA-K
InChIKey
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;;;+
Class
Industry
Functions
