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132054-81-0 molecular structure
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5-chloro-2-methoxy-N-(2-{4-[({[(1s,4s)-4-hydroxycyclohexyl]carbamoyl}amino)sulfonyl]phenyl}ethyl)benzamide

ChemBase ID: 170625
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-HDICACEKSA-N

Cite this record

CBID:170625 http://www.chembase.cn/molecule-170625.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-[({[(1s,4s)-4-hydroxycyclohexyl]carbamoyl}amino)sulfonyl]phenyl}ethyl)benzamide
IUPAC Traditional name
5-chloro-2-methoxy-N-{2-[4-({[(1s,4s)-4-hydroxycyclohexyl]carbamoyl}aminosulfonyl)phenyl]ethyl}benzamide
Synonyms
5-Chloro-N-[2-[4-[[[[(cis-4-hydroxycyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxybenzamide
cis-5-Chloro-N-[2-[4-[[[[(4-hydroxycyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxybenzamide
rac cis-4-Hydroxy Glyburide
CAS Number
132054-81-0
PubChem SID
164226535
PubChem CID
3082214

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H942630 external link Add to cart
PubChem 3082214 external link
Data Source Data ID Price
TRC
H942630 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

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 - H942630 external link
rac cis-4-Hydroxy Glyburide is a metabolite of Glyburide used as an antidiabetic agent.

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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