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2779-55-7 molecular structure
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2,3-dimethoxy-6-[(1E)-[(pyridin-4-ylformamido)imino]methyl]benzoic acid

ChemBase ID: 179802
Molecular Formular: C16H15N3O5
Molecular Mass: 329.3074
Monoisotopic Mass: 329.1011706
SMILES and InChIs

SMILES:
c1(c(c(ccc1/C=N/NC(=O)c1ccncc1)OC)OC)C(=O)O
Canonical SMILES:
COc1c(OC)ccc(c1C(=O)O)/C=N/NC(=O)c1ccncc1
InChI:
InChI=1S/C16H15N3O5/c1-23-12-4-3-11(13(16(21)22)14(12)24-2)9-18-19-15(20)10-5-7-17-8-6-10/h3-9H,1-2H3,(H,19,20)(H,21,22)/b18-9+
InChIKey:
HSYFNANHKYNZNI-GIJQJNRQSA-N

Cite this record

CBID:179802 http://www.chembase.cn/molecule-179802.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dimethoxy-6-[(1E)-[(pyridin-4-ylformamido)imino]methyl]benzoic acid
IUPAC Traditional name
2,3-dimethoxy-6-[(1E)-[(pyridin-4-ylformamido)imino]methyl]benzoic acid
Synonyms
Carboxyverazide
Saluside
Saluzid
Opiniazide
CAS Number
2779-55-7
PubChem SID
164235712
PubChem CID
6871212

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 6871212 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.6482072  H Acceptors
H Donor LogD (pH = 5.5) -1.454981 
LogD (pH = 7.4) -2.3976548  Log P 0.48018828 
Molar Refractivity 86.2612 cm3 Polarizability 31.874949 Å3
Polar Surface Area 110.11 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Mechanism of Action
Inhibitor of mycolic acid synthesis and disruption of the cell wall in susceptible organisms expand Show data source
Interferes with several bacterial Enzyme systems expand Show data source
Description
isomers expand Show data source
Application(s)
Antibacterial (tuberculostatic) agent expand Show data source
Antiseptic expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Japan. Pat., 1957, Shionogi, 57 8 078; CA, 52, 13805c, (synth, pharmacol)
  • • Veis, R.A., Antibiotiki (Moscow), 1969, 14, 1016; CA, 72, 53471v, (pharmacol)
  • • Akhundov, R.A., CA, 1977, 86, 50678y; 115162x, (pharmacol, tox)
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PATENTS

PATENTS

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INTERNET

INTERNET

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