(5Z) -Rosiglitazone

CAT: 0024-sc-472728Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-472728Size:5 mg

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CAS Number

160596-25-8

Chemical Information

Didehydro rosiglitazone, (5Z)-

CAS Number	160596-25-8
PubChem CID	10119132
IUPAC Name	(5Z)-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Molecular Formula	C18H17N3O3S
Molecular Weight	355.4
XLogP	3.2
Topological Polar Surface Area	96.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	518

SMILES

CN(CCOC1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)S2)C3=CC=CC=N3

InChI

InChI=1S/C18H17N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,12H,10-11H2,1H3,(H,20,22,23)/b15-12-

InChIKey

HCDYSWMAMRPMST-QINSGFPZSA-N

Chemical Structure

2D Structure

CAS: 160596-25-8

CID: 10119132

Formula: C18H17N3O3S

MW: 355.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	355.4
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	355.09906259
Monoisotopic Mass	355.09906259
Topological Polar Surface Area	96.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	518
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-202795	Rosiglitazone
sc-202795C	Rosiglitazone
sc-202795A	Rosiglitazone
sc-202795B	Rosiglitazone
sc-202795D	Rosiglitazone
sc-219992	Rosiglitazone-d3
sc-280069	Rosiglitazone Maleate
sc-280068	Rosiglitazone hydrochloride
sc-208028	N-Desmethyl Rosiglitazone
sc-205493	Rosiglitazone (potassium salt)