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Pioglitazone EP Impurity B

CAT: 1299-RM-P072002-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P072002-01Size:10 mg
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CAS Number
136401-69-9
Synonyms
(Z) -5- (4- (2- (5-ethylpyridin-2-yl) ethoxy) benzylidene) thiazolidine-2,4-dione
Molecular Formula
C19H18N2O3S
Molecular Weight
354.42
Target Alternative Name
Pioglitazone
Product Name Synonym
(Z) -5- (4- (2- (5-ethylpyridin-2-yl) ethoxy) benzylidene) thiazolidine-2,4-dione

Chemical Information

(Z)-5-(4-(2-(5-Ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione
CAS Number136401-69-9
PubChem CID10937126
IUPAC Name(5Z)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Molecular FormulaC19H18N2O3S
Molecular Weight354.4
XLogP3.9
Topological Polar Surface Area93.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity515
SMILES
CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)/C=C\3/C(=O)NC(=O)S3
InChI
InChI=1S/C19H18N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,11-12H,2,9-10H2,1H3,(H,21,22,23)/b17-11-
InChIKey
YNTUJOCADSTMCL-BOPFTXTBSA-N
Chemical Structure
2D Structure
2D structure of (Z)-5-(4-(2-(5-Ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione
CAS: 136401-69-9
CID: 10937126
Formula: C19H18N2O3S
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass354.10381361
Monoisotopic Mass354.10381361
Topological Polar Surface Area93.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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