P1B

(5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione

Created:	2010-07-14
Last modified:	2020-06-05

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3 entries where P1B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	1
Bond Count	47
Aromatic Bond Count	12

2D diagram of P1B

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Chemical Component Summary
Name	(5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione
Synonyms	PIOGLITAZONE
Systematic Name (OpenEye OEToolkits)	(5R)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Formula	C₁₉ H₂₀ N₂ O₃ S
Molecular Weight	356.439
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1NC(=O)SC1Cc3ccc(OCCc2ncc(cc2)CC)cc3
SMILES	CACTVS	3.352	CCc1ccc(CCOc2ccc(C[CH]3SC(=O)NC3=O)cc2)nc1
SMILES	OpenEye OEToolkits	1.6.1	CCc1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)NC(=O)S3
Canonical SMILES	CACTVS	3.352	CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1
Canonical SMILES	OpenEye OEToolkits	1.6.1	CCc1ccc(nc1)CCOc2ccc(cc2)C[C@@H]3C(=O)NC(=O)S3
InChI	InChI	1.03	InChI=1S/C19H20N2O3S/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/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m1/s1
InChIKey	InChI	1.03	HYAFETHFCAUJAY-QGZVFWFLSA-N

Related Resource References

Resource Name	Reference
PubChem	29010894

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