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1296832-76-2 | Pioglitazone Thiazolidinedione Ring-opened N-β-D-Glucuronide
CAS No: 1296832-76-2 Catalog No: AG009E5F MDL No:
Product Description
Catalog Number:
AG009E5F
Chemical Name:
Pioglitazone Thiazolidinedione Ring-opened N-β-D-Glucuronide
CAS Number:
1296832-76-2
IUPAC Name:
(2S,3S,4S,5R,6R)-6-[[1-carboxy-2-[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]ethyl]sulfanylcarbonylamino]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI:
InChI=1S/C25H30N2O10S/c1-2-13-3-6-15(26-12-13)9-10-36-16-7-4-14(5-8-16)11-17(23(31)32)38-25(35)27-22-20(30)18(28)19(29)21(37-22)24(33)34/h3-8,12,17-22,28-30H,2,9-11H2,1H3,(H,27,35)(H,31,32)(H,33,34)/t17?,18-,19-,20+,21-,22+/m0/s1
InChI Key:
GQCWGHHINCKKGE-DVGPLREDSA-N
Properties
Complexity:
796
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
550.162g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
550.579g/mol
Monoisotopic Mass:
550.162g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
221A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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