GFV

Hydroxy Pioglitazone (M-IV)

Created:	2018-05-21
Last modified:	2021-03-13

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1 entries where GFV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	2
Bond Count	48
Aromatic Bond Count	12

2D diagram of GFV

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Chemical Component Summary
Name	Hydroxy Pioglitazone (M-IV)
Synonyms	(5S)-5-{[4-(2-{5-[(1S)-1-hydroxyethyl]pyridin-2-yl}ethoxy)phenyl]methyl}-1,3-thiazolidine-2,4-dione
Systematic Name (OpenEye OEToolkits)	(5~{S})-5-[[4-[2-[5-[(1~{S})-1-oxidanylethyl]pyridin-2-yl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Formula	C₁₉ H₂₀ N₂ O₄ S
Molecular Weight	372.438
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(Oc2ccc(CC1C(NC(=O)S1)=O)cc2)Cc3ncc(C(C)O)cc3
SMILES	CACTVS	3.385	C[CH](O)c1ccc(CCOc2ccc(C[CH]3SC(=O)NC3=O)cc2)nc1
SMILES	OpenEye OEToolkits	2.0.6	CC(c1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)NC(=O)S3)O
Canonical SMILES	CACTVS	3.385	C[C@H](O)c1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@@H](c1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3)O
InChI	InChI	1.03	InChI=1S/C19H20N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)21-19(24)26-17/h2-7,11-12,17,22H,8-10H2,1H3,(H,21,23,24)/t12-,17-/m0/s1
InChIKey	InChI	1.03	OXVFDZYQLGRLCD-SJCJKPOMSA-N

Related Resource References

Resource Name	Reference
PubChem	40636986

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