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600177-94-4 molecular structure
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3-ethyl-4-methyl-2-oxo-N-(2-{4-[({[(1r,4r)-4-(hydroxymethyl)cyclohexyl]carbamoyl}amino)sulfonyl]phenyl}ethyl)-2,5-dihydro-1H-pyrrole-1-carboxamide

ChemBase ID: 170611
Molecular Formular: C24H34N4O6S
Molecular Mass: 506.61496
Monoisotopic Mass: 506.21990583
SMILES and InChIs

SMILES:
c1(ccc(cc1)S(=O)(=O)NC(=O)N[C@H]1CC[C@@H](CC1)CO)CCNC(=O)N1CC(=C(C1=O)CC)C
Canonical SMILES:
OC[C@@H]1CC[C@H](CC1)NC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1CC(=C(C1=O)CC)C
InChI:
InChI=1S/C24H34N4O6S/c1-3-21-16(2)14-28(22(21)30)24(32)25-13-12-17-6-10-20(11-7-17)35(33,34)27-23(31)26-19-8-4-18(15-29)5-9-19/h6-7,10-11,18-19,29H,3-5,8-9,12-15H2,1-2H3,(H,25,32)(H2,26,27,31)/t18-,19-
InChIKey:
YUNQMQLWOOVHKI-WGSAOQKQSA-N

Cite this record

CBID:170611 http://www.chembase.cn/molecule-170611.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-ethyl-4-methyl-2-oxo-N-(2-{4-[({[(1r,4r)-4-(hydroxymethyl)cyclohexyl]carbamoyl}amino)sulfonyl]phenyl}ethyl)-2,5-dihydro-1H-pyrrole-1-carboxamide
IUPAC Traditional name
3-ethyl-4-methyl-2-oxo-N-{2-[4-({[(1r,4r)-4-(hydroxymethyl)cyclohexyl]carbamoyl}aminosulfonyl)phenyl]ethyl}-5H-pyrrole-1-carboxamide
Synonyms
3-Ethyl-2,5-dihydro-N-[2-[4-[[[[[trans-4-(hydroxymethyl)cyclohexyl]amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-4-methyl-2-oxo-1H-pyrrole-1-carboxamide
trans-Hydroxy Glimepiride
CAS Number
600177-94-4
PubChem SID
164226521
PubChem CID
130939

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H942530 external link Add to cart
PubChem 130939 external link
Data Source Data ID Price
TRC
H942530 external link Add to cart Please log in.
Data Source Data ID
PubChem 130939 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 0.8216612  Log P 1.7618096 
Molar Refractivity 131.6559 cm3 Polarizability 51.380943 Å3
Polar Surface Area 144.91 Å2 Rotatable Bonds
Lipinski's Rule of Five false  Acid pKa 4.320178 
H Acceptors H Donor
LogD (pH = 5.5) 0.9896135 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
198-200°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - H942530 external link
An active metabolite of Glimepiride.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Muller, G., et al.: Diabetes, 42, 1852 (1993)
  • • Kramer, W., et al.: Biochem. Biophys. Acta, 119, 278 (1993)
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PATENTS

PATENTS

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INTERNET

INTERNET

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