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149022-19-5 | Glycine, N-[2-[[8-[bis(carboxymethyl)amino]-6-methoxy-2-quinolinyl]methoxy]-5-methylphenyl]-N-(carboxymethyl)-, potassium salt, hydrate (9CI)
CAS No: 149022-19-5 Catalog No: AG001LCP MDL No:
Product Description
Catalog Number:
AG001LCP
Chemical Name:
Glycine, N-[2-[[8-[bis(carboxymethyl)amino]-6-methoxy-2-quinolinyl]methoxy]-5-methylphenyl]-N-(carboxymethyl)-, potassium salt, hydrate (9CI)
CAS Number:
149022-19-5
Molecular Formula:
C26H28KN3O11
Molecular Weight:
597.6123
IUPAC Name:
2-[2-[[8-[bis(carboxymethyl)amino]-6-methoxyquinolin-2-yl]methoxy]-N-(carboxymethyl)-5-methylanilino]acetic acid;potassium;hydrate
InChI:
InChI=1S/C26H27N3O10.K.H2O/c1-15-3-6-21(19(7-15)28(10-22(30)31)11-23(32)33)39-14-17-5-4-16-8-18(38-2)9-20(26(16)27-17)29(12-24(34)35)13-25(36)37;;/h3-9H,10-14H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)(H,36,37);;1H2
InChI Key:
CKEUHPOVDSFCQX-UHFFFAOYSA-N
SMILES:
COc1cc2ccc(nc2c(c1)N(CC(=O)O)CC(=O)O)COc1ccc(cc1N(CC(=O)O)CC(=O)[O-])C.O.[K+]
Properties
Complexity:
841
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
598.144g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
598.626g/mol
Monoisotopic Mass:
598.144g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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