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120750-70-1 | 4-polyethylene glycol-sulfonylurea-piretanide
CAS No: 120750-70-1 Catalog No: AG0098T8 MDL No:
Product Description
Catalog Number:
AG0098T8
Chemical Name:
4-polyethylene glycol-sulfonylurea-piretanide
CAS Number:
120750-70-1
IUPAC Name:
4-[4-[2-(2-hydroxyethoxy)ethylcarbamothioylamino]phenoxy]-3-(2H-pyrrol-1-ium-1-yl)-5-sulfamoylbenzoic acid
InChI:
InChI=1S/C22H24N4O7S2/c23-35(30,31)19-14-15(21(28)29)13-18(26-8-1-2-9-26)20(19)33-17-5-3-16(4-6-17)25-22(34)24-7-11-32-12-10-27/h1-6,8,13-14,27H,7,9-12H2,(H4-,23,24,25,28,29,30,31,34)/p+1
InChI Key:
NROHLPMZALSKLU-UHFFFAOYSA-O
Properties
Complexity:
898
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
521.116g/mol
Formal Charge:
1
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
521.583g/mol
Monoisotopic Mass:
521.116g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
204A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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