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Home > Pyridines > 1781882-65-2
1781882-65-2 | Pyridostatin hydrochloride
CAS No: 1781882-65-2 Catalog No: AG01EOPE MDL No:
Product Description
Catalog Number:
AG01EOPE
Chemical Name:
Pyridostatin hydrochloride
CAS Number:
1781882-65-2
Molecular Formula:
C31H37Cl5N8O5
Molecular Weight:
778.9411
IUPAC Name:
4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;pentahydrochloride
InChI:
InChI=1S/C31H32N8O5.5ClH/c32-9-12-42-19-15-24(30(40)38-28-17-26(43-13-10-33)20-5-1-3-7-22(20)36-28)35-25(16-19)31(41)39-29-18-27(44-14-11-34)21-6-2-4-8-23(21)37-29;;;;;/h1-8,15-18H,9-14,32-34H2,(H,36,38,40)(H,37,39,41);5*1H
InChI Key:
SRIZPFGTXSQRFM-UHFFFAOYSA-N
SMILES:
NCCOc1cc(nc(c1)C(=O)Nc1cc(OCCN)c2c(n1)cccc2)C(=O)Nc1cc(OCCN)c2c(n1)cccc2.Cl.Cl.Cl.Cl.Cl
Properties
Complexity:
850
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
6
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
778.13g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
778.938g/mol
Monoisotopic Mass:
776.133g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
203A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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