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23155-00-2 molecular structure
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5-chloro-2-methoxy-N-(2-{4-[({[(1r,4r)-4-hydroxycyclohexyl]carbamoyl}amino)sulfonyl]phenyl}ethyl)benzamide

ChemBase ID: 170623
Molecular Formular: C23H28ClN3O6S
Molecular Mass: 510.00292
Monoisotopic Mass: 509.13873431
SMILES and InChIs

SMILES:
c1(ccc(c(c1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)N[C@@H]1CC[C@H](CC1)O)OC)Cl
Canonical SMILES:
COc1ccc(cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)N[C@@H]1CC[C@H](CC1)O)Cl
InChI:
InChI=1S/C23H28ClN3O6S/c1-33-21-11-4-16(24)14-20(21)22(29)25-13-12-15-2-9-19(10-3-15)34(31,32)27-23(30)26-17-5-7-18(28)8-6-17/h2-4,9-11,14,17-18,28H,5-8,12-13H2,1H3,(H,25,29)(H2,26,27,30)/t17-,18-
InChIKey:
IUWSGCQEWOOQDN-IYARVYRRSA-N

Cite this record

CBID:170623 http://www.chembase.cn/molecule-170623.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2-methoxy-N-(2-{4-[({[(1r,4r)-4-hydroxycyclohexyl]carbamoyl}amino)sulfonyl]phenyl}ethyl)benzamide
IUPAC Traditional name
5-chloro-2-methoxy-N-{2-[4-({[(1r,4r)-4-hydroxycyclohexyl]carbamoyl}aminosulfonyl)phenyl]ethyl}benzamide
Synonyms
5-Chloro-N-[2-[4-[[[[(trans-4-hydroxycyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxybenzamide
trans-1-[[p-[2-(5-Chloro-o-anisamido)ethyl]phenyl]sulfonyl]-3-(4-hydroxycyclohexyl)urea
4-trans-Hydroxycyclohexyl Glyburide
4-trans-Hydroxyglibenclamide
N-[4-[β-(2-Methoxy-5-chlorobenzamido)ethyl]benzenesulfonyl]-N'-(trans-4-hydroxycyclohexyl)urea
trans-4-Hydroxyglyburide
rac trans-4-Hydroxy Glyburide
CAS Number
23155-00-2
PubChem SID
164226533
PubChem CID
3082214

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H942625 external link Add to cart
PubChem 3082214 external link
Data Source Data ID Price
TRC
H942625 external link Add to cart Please log in.
Data Source Data ID
PubChem 3082214 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.3201733  H Acceptors
H Donor LogD (pH = 5.5) 1.6321936 
LogD (pH = 7.4) 1.4642429  Log P 2.4043915 
Molar Refractivity 128.6496 cm3 Polarizability 50.19998 Å3
Polar Surface Area 133.83 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
123-125°C expand Show data source
Storage Condition
Hygroscopic, -20°C Freezer, Under Inert Atmosphere expand Show data source
Storage Warning
Hygroscopic and Moisture Sensitive 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 - H942625 external link
rac trans-4-Hydroxy Glyburide is a metabolite of Glyburide which is used as an antidiabetic.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Heptner, W., et al.: Pharmaceut. Res., 5, 215 (1984)
  • • Rydberg, T., et al.: Br. J. Clin. Pharm., 43, 373 (1984)
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PATENTS

PATENTS

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INTERNET

INTERNET

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