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112529-15-4 molecular structure
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hydrogen 5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione chloride

ChemBase ID: 288275
Molecular Formular: C19H20ClN2O3S-
Molecular Mass: 391.8917
Monoisotopic Mass: 391.08831619
SMILES and InChIs

SMILES:
c1c(CC2SC(=O)NC2=O)ccc(c1)OCCc1ccc(cn1)CC.[Cl-]
Canonical SMILES:
CCc1ccc(nc1)CCOc1ccc(cc1)CC1SC(=O)NC1=O.[Cl-]
InChI:
InChI=1S/C19H20N2O3S.ClH/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);1H/p-1
InChIKey:
GHUUBYQTCDQWRA-UHFFFAOYSA-M

Cite this record

CBID:288275 http://www.chembase.cn/molecule-288275.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hydrogen 5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione chloride
IUPAC Traditional name
hydrogen pioglitazone chloride
Synonyms
Pioglitazone hydrochloride
CAS Number
112529-15-4
MDL Number
MFCD04975446
PubChem SID
180673806
PubChem CID
23137834

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD17571 Please log in.
Data Source Data ID
PubChem 23137834 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.657649  H Acceptors
H Donor LogD (pH = 5.5) 3.1840525 
LogD (pH = 7.4) 2.7427685  Log P 3.3282487 
Molar Refractivity 97.3908 cm3 Polarizability 37.941406 Å3
Polar Surface Area 68.29 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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