Gadobenate dimeglumine

• CAS: 127000-20-8
• Catalog Number: ACM127000208-1
• Category: Other Products
• Molecular Weight: 513.5
• Molecular Formula: C22H31N3O11
• Synonyms: 2-[2-[2-[Bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-phenylmethoxypropanoic acid
• Canonical SMILES: C1=CC=C(C=C1)COCC(C(=O)O)N(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
• InChI: InChI=1S/C22H31N3O11/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)
• InChI Key: OEIYJWYTUDFZBH-UHFFFAOYSA-N
• Melting Point: 124 °C
• Complexity: 727
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 513.19585881
• Heavy Atom Count: 36
• Hydrogen Bond Acceptor Count: 14
• Hydrogen Bond Donor Count: 5
• Monoisotopic Mass: 513.19585881
• Rotatable Bond Count: 20
• Topological Polar Surface Area: 205 Ų