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114773-44-3 | 1H-Imidazole-5-acetic acid, 2-butyl-1-[[4-[(2-carboxybenzoyl)amino]phenyl]methyl]-4-chloro-, 5-methyl ester, sodium salt (1:1)
CAS No: 114773-44-3 Catalog No: AG000F6T MDL No:
Product Description
Catalog Number:
AG000F6T
Chemical Name:
1H-Imidazole-5-acetic acid, 2-butyl-1-[[4-[(2-carboxybenzoyl)amino]phenyl]methyl]-4-chloro-, 5-methyl ester, sodium salt (1:1)
CAS Number:
114773-44-3
Molecular Formula:
C25H25ClN3NaO5
Molecular Weight:
505.9259
IUPAC Name:
sodium;2-[2-butyl-3-[[4-[(2-carboxybenzoyl)amino]phenyl]methyl]-5-chloroimidazol-4-yl]propanoate
InChI:
InChI=1S/C25H26ClN3O5.Na/c1-3-4-9-20-28-22(26)21(15(2)24(31)32)29(20)14-16-10-12-17(13-11-16)27-23(30)18-7-5-6-8-19(18)25(33)34;/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,27,30)(H,31,32)(H,33,34);/q;+1/p-1
InChI Key:
OSDQJFVHDVAJSD-UHFFFAOYSA-M
SMILES:
CCCCc1nc(c(n1Cc1ccc(cc1)NC(=O)c1ccccc1C(=O)O)C(C(=O)[O-])C)Cl.[Na+]
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
505.138g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
505.931g/mol
Monoisotopic Mass:
505.138g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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