5-Methoxybenzofurazan 3-oxide - CAS 3524-06-9
Catalog: |
BB022548 |
Product Name: |
5-Methoxybenzofurazan 3-oxide |
CAS: |
3524-06-9 |
Synonyms: |
5-methoxy-3-oxido-2,1,3-benzoxadiazol-3-ium |
IUPAC Name: | 5-methoxy-3-oxido-2,1,3-benzoxadiazol-3-ium |
Description: | 5-Methoxybenzofurazan 3-oxide (CAS# 3524-06-9 ) is a useful research chemical. |
Molecular Weight: | 166.13 |
Molecular Formula: | C7H6N2O3 |
Canonical SMILES: | COC1=CC2=[N+](ON=C2C=C1)[O-] |
InChI: | InChI=1S/C7H6N2O3/c1-11-5-2-3-6-7(4-5)9(10)12-8-6/h2-4H,1H3 |
InChI Key: | XCWFKHHSXPIDHN-UHFFFAOYSA-N |
Boiling Point: | 291.2 °C at 760 mmHg |
Density: | 1.46 g/cm3 |
MDL: | MFCD00192265 |
LogP: | 1.26490 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-102108567-B1 | Pharmaceutical composition for colorectal cancer with inhibiting the activity of Peroxiredoxin | 20170627 |
KR-20190001574-A | Pharmaceutical composition for colorectal cancer with inhibiting the activity of Peroxiredoxin | 20170627 |
US-2020129508-A1 | Pharmaceutical composition comprising substance inhibiting enzymatic activity of peroxiredoxin 2 as effective ingredient for treatment of colorectal cancer | 20170627 |
WO-2019004732-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A SUBSTANCE INHIBITING THE ENZYMATIC ACTIVITY OF PEROXYREDOXIN 2 AS AN ACTIVE INGREDIENT FOR THE TREATMENT OF COLORECTAL CANCER | 20170627 |
US-3420654-A | Method of controlling growth of algae with benzofurazans and benzofurazan-1-oxides | 19651023 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.03784206 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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