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199485-26-2 | Glycine, N-[2-[(carboxymethyl)[(2-hydroxyphenyl)methyl]amino]ethyl]-N-[(2-hydroxyphenyl)methyl]-, 1-ethyl ester, monosodium salt (9CI)
CAS No: 199485-26-2 Catalog No: AG002C5I MDL No:
Product Description
Catalog Number:
AG002C5I
Chemical Name:
Glycine, N-[2-[(carboxymethyl)[(2-hydroxyphenyl)methyl]amino]ethyl]-N-[(2-hydroxyphenyl)methyl]-, 1-ethyl ester, monosodium salt (9CI)
CAS Number:
199485-26-2
Molecular Formula:
C22H28N2NaO6
Molecular Weight:
439.4573
IUPAC Name:
sodium;2-[2-[(2-ethoxy-2-oxoethyl)-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]acetate
InChI:
InChI=1S/C22H28N2O6.Na/c1-2-30-22(29)16-24(14-18-8-4-6-10-20(18)26)12-11-23(15-21(27)28)13-17-7-3-5-9-19(17)25;/h3-10,25-26H,2,11-16H2,1H3,(H,27,28);/q;+1/p-1
InChI Key:
GEDCAPDTGTYAND-UHFFFAOYSA-M
SMILES:
CCOC(=O)CN(Cc1ccccc1O)CCN(Cc1ccccc1O)CC(=O)O.[Na]
UNII:
94KC20I6YX
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.177g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
438.456g/mol
Monoisotopic Mass:
438.177g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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