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3232-36-8 molecular structure
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2-hydroxy-N'-[(1E)-(2-hydroxyphenyl)methylidene]benzohydrazide

ChemBase ID: 154644
Molecular Formular: C14H12N2O3
Molecular Mass: 256.25668
Monoisotopic Mass: 256.08479225
SMILES and InChIs

SMILES:
c1ccc(c(c1)/C=N/NC(=O)c1ccccc1O)O
Canonical SMILES:
Oc1ccccc1/C=N/NC(=O)c1ccccc1O
InChI:
InChI=1S/C14H12N2O3/c17-12-7-3-1-5-10(12)9-15-16-14(19)11-6-2-4-8-13(11)18/h1-9,17-18H,(H,16,19)
InChIKey:
OMCYEZUIYGPHDJ-UHFFFAOYSA-N

Cite this record

CBID:154644 http://www.chembase.cn/molecule-154644.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxy-N'-[(1E)-(2-hydroxyphenyl)methylidene]benzohydrazide
2-hydroxy-N'-[(2-hydroxyphenyl)methylidene]benzohydrazide
IUPAC Traditional name
2-hydroxy-N'-[(1E)-(2-hydroxyphenyl)methylidene]benzohydrazide
2-hydroxy-N'-[(2-hydroxyphenyl)methylidene]benzohydrazide
Synonyms
2-Hydroxybenzylidene 2-hydroxybenzhydrazide
NSC 87864
SCS
Salicylidene salicylhydrazide
亚水杨基水杨基肼
CAS Number
3232-36-8
EC Number
221-773-2
MDL Number
MFCD00043494
Beilstein Number
2944701
PubChem SID
24899778
162248782
PubChem CID
5483116

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5483116 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.95573  H Acceptors
H Donor LogD (pH = 5.5) 3.004486 
LogD (pH = 7.4) 2.8969395  Log P 3.006004 
Molar Refractivity 72.1973 cm3 Polarizability 26.531672 Å3
Polar Surface Area 81.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
DMSO: ~20 mg/mL expand Show data source
H2O: insoluble expand Show data source
Apperance
off-white solid expand Show data source
Melting Point
280-284°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H319 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Mechanism of Action
Selective partial inhibitor of beta-1-containing GABA-A receptors expand Show data source
Purity
≥98% (HPLC) expand Show data source
97% expand Show data source
Application(s)
Tuberculostatic expand Show data source
Empirical Formula (Hill Notation)
C14H12N2O3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - S8194 external link
Biochem/physiol Actions
Potent and selective inhibitor of α2β1γ1δ GABAA receptor subtype.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Thompson et al (2004) Salicylidene salicylhydrazide, a selective inhibitor of b1-containing GABAA receptors. Br.J.Pharmacol. 142 97.
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PATENTS

PATENTS

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INTERNET

INTERNET

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