AG002BWK

199113-98-9 | 2,4-Thiazolidinedione, 5-[[4-[(3,4-dihydro-3-methyl-4-oxo-2-quinazolinyl)methoxy]phenyl]methyl]-

AG002BWK

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CAS Number	199113-98-9
Catalog Number	AG002BWK(AGN-PC-0QQDUE)
Chemical Name	2,4-Thiazolidinedione, 5-[[4-[(3,4-dihydro-3-methyl-4-oxo-2-quinazolinyl)methoxy]phenyl]methyl]-
IUPAC Name	5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
InChI	InChI=1S/C20H17N3O4S/c1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16/h2-9,16H,10-11H2,1H3,(H,22,24,26)
InChI Key	IETKPTYAGKZLKY-UHFFFAOYSA-N
MDL Number	MFCD09837808
Molecular Formula	C20H17N3O4S
Molecular Weight	395.4317
SMILES	O=C(N1)SC(CC2=CC=C(OCC(N3C)=NC4=C(C=CC=C4)C3=O)C=C2)C1=O
Synonyms	balaglitazone, Balaglitazone, 199113-98-9, DRF-2593, NN-2344, Balaglitazone [INN], 5-(4-((3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)methoxy)benzyl)thiazolidine-2,4-dione, 5-[4-[[3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl]methoxy]benzyl]thiazolidine-2,4-dione, DRF 2593, NN2344, NN 2344, NNC-61-0645, SCHEMBL242011, CHEMBL2103991, IETKPTYAGKZLKY-UHFFFAOYSA-N, BCP11371, AKOS030526698, CS-1441, DB12781, SB16864, NNC-61-2344, HY-16086, SC-94063, DB-065992, FT-0766930, W-5414, 5-(p-((3,4-Dihydro-3-methyl-4-oxo-2-quinazolinyl)methoxy)benzyl)-2,4-thiazolidinedione, 5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, 5-[4-[[-methyl-4-oxo-3,4-dihydroquinazolin-2-yl]methoxy]benzyl]thiazolidine-2,4-dione, (+-)-5-(p-((3,4-Dihydro-3-methyl-4-oxo-2-quinazolinyl)methoxy)benzyl)-2,4-thiazolidinedione, 2,4-Thiazolidinedione, 5-[[4-[(3,4-dihydro-3-methyl-4-oxo-2-quinazolinyl)methoxy]phenyl]methyl]-, 5-[[4-[(3,4-dihydro-3-methyl-4-oxo-2-quinazolinyl)methoxy]phenyl]methyl]-2,4-Thiazolidinedione, 1,2-Dibromohexane, D0F3NH, UNII-4M1609828O, CID9889200, DRF-2593-307, 4M1609828O, 5-[[4-[(3-methyl-4-oxo-quinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione,

Complexity	674
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	395.094g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	395.433g/mol
Monoisotopic Mass	395.094g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number