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14293-44-8 molecular structure
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4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide

ChemBase ID: 76888
Molecular Formular: C15H15ClN2O4S
Molecular Mass: 354.8086
Monoisotopic Mass: 354.04410565
SMILES and InChIs

SMILES:
Clc1c(cc(c(c1)O)C(=O)Nc1c(cccc1C)C)S(=O)(=O)N
Canonical SMILES:
O=C(c1cc(c(cc1O)Cl)S(=O)(=O)N)Nc1c(C)cccc1C
InChI:
InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)
InChIKey:
MTZBBNMLMNBNJL-UHFFFAOYSA-N

Cite this record

CBID:76888 http://www.chembase.cn/molecule-76888.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide
IUPAC Traditional name
xipamide
Synonyms
5-(Aminosulfonyl)-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-benzamide
4-Chloro-5-sulfamoyl-2',6'-salicyloxylidide
Aquaphor
Chronexan
Diurex
Lumitens
Xipamide
Xipamide
4-Chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulphamoylbenzamide
4-Chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide
CAS Number
14293-44-8
PubChem SID
162041788
PubChem CID
26618

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.1722975  H Acceptors
H Donor LogD (pH = 5.5) 2.9156187 
LogD (pH = 7.4) 1.80893  Log P 2.9984834 
Molar Refractivity 90.6175 cm3 Polarizability 34.335552 Å3
Polar Surface Area 109.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
253-254°C expand Show data source
Storage Condition
Refrigerator expand Show data source
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - X745150 external link
Xipamide is a diuretic and antihypertensive agent.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Wagieh, N., et al.: Drug Test. Anal., 2, 113 (2010)
  • • Prado-Prado, F., et al.: Bioorg. Med. Chem., 18, 2225 (2010)
  • • Dresen, S., et al.: Anal. Bioanal. Chem., 396, 2425 (2010)
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PATENTS

PATENTS

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INTERNET

INTERNET

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