Molecular Structure:
CCD No.:CCD00176752
GADOBENIC ACID
CAS No.:
113662-23-0
Formula:C22 H28 N3 O11 . Gd
MolWeight:667.723
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| Product Name： | GADOBENIC ACID |
| CAS： | 113662-23-0 |
| English Synonyms： | GADOBENIC ACID |
| MDL Number.： | MFCD00868389 |
| H bond acceptor： | 14 |
| H bond donor： | 2 |
| Smile： | c1ccc(cc1)COCC(C(=O)O)N(CCN(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3] |
| InChi： | InChI=1S/C22H31N3O11.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;/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);/q;+3/p-3 |
| InChiKey： | InChIKey=MXZROTBGJUUXID-UHFFFAOYSA-K |
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