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952187-99-4 molecular structure
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5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]-3-{4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}phenyl}methyl)-1,3-thiazolidine-2,4-dione

ChemBase ID: 168748
Molecular Formular: C34H35N3O4S
Molecular Mass: 581.7244
Monoisotopic Mass: 581.23482762
SMILES and InChIs

SMILES:
n1cc(ccc1CCOc1ccc(cc1c1ccc(cc1)OCCc1ncc(cc1)CC)CC1C(=O)NC(=O)S1)CC
Canonical SMILES:
CCc1ccc(nc1)CCOc1ccc(cc1)c1cc(ccc1OCCc1ccc(cn1)CC)CC1SC(=O)NC1=O
InChI:
InChI=1S/C34H35N3O4S/c1-3-23-5-10-27(35-21-23)15-17-40-29-12-8-26(9-13-29)30-19-25(20-32-33(38)37-34(39)42-32)7-14-31(30)41-18-16-28-11-6-24(4-2)22-36-28/h5-14,19,21-22,32H,3-4,15-18,20H2,1-2H3,(H,37,38,39)
InChIKey:
VWPCWJMGWMWSGX-UHFFFAOYSA-N

Cite this record

CBID:168748 http://www.chembase.cn/molecule-168748.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]-3-{4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}phenyl}methyl)-1,3-thiazolidine-2,4-dione
IUPAC Traditional name
5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]-3-{4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}phenyl}methyl)-1,3-thiazolidine-2,4-dione
Synonyms
Pioglitazone EP Impurity G
3-[2-[(5-Ethyl-2-pyridinyl)ethoxy]phenyl] Pioglitazone Impurity
CAS Number
952187-99-4
PubChem SID
162262880
PubChem CID
17756322

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC E925740 external link Add to cart
PubChem 17756322 external link
Data Source Data ID Price
TRC
E925740 external link Add to cart Please log in.
Data Source Data ID
PubChem 17756322 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.697649  H Acceptors
H Donor LogD (pH = 5.5) 6.099836 
LogD (pH = 7.4) 6.008348  Log P 6.449823 
Molar Refractivity 165.2653 cm3 Polarizability 65.475006 Å3
Polar Surface Area 90.41 Å2 Rotatable Bonds 13 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - E925740 external link
Pioglitazone impurity G per EP.

REFERENCES

REFERENCES

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  • • Richter, J., et al.: Pharmazie, 62, 580 (2007)
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PATENTS

PATENTS

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INTERNET

INTERNET

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