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85930-00-3 | 2H-Imidazo(4,5-b)pyridin-2-one, 1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, ethanedioate (1:1)
CAS No: 85930-00-3 Catalog No: AG008G0C MDL No:
Product Description
Catalog Number:
AG008G0C
Chemical Name:
2H-Imidazo(4,5-b)pyridin-2-one, 1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, ethanedioate (1:1)
CAS Number:
85930-00-3
Molecular Formula:
C18H25N5O7
Molecular Weight:
423.4204
IUPAC Name:
1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid
InChI:
InChI=1S/C16H23N5O3.C2H2O4/c22-16-20(12-18-4-8-23-9-5-18)14-2-1-3-17-15(14)21(16)13-19-6-10-24-11-7-19;3-1(4)2(5)6/h1-3H,4-13H2;(H,3,4)(H,5,6)
InChI Key:
ZWVUMTLLZCETQV-UHFFFAOYSA-N
SMILES:
O=c1n(CN2CCOCC2)c2c(n1CN1CCOCC1)nccc2.OC(=O)C(=O)O
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.175g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
423.426g/mol
Monoisotopic Mass:
423.175g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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