Basic information
- CAS
69839-83-4- Standard SMILES
O=C(NO)c1ccc(O)c(O)c1- InChIKey
QJMCKEPOKRERLN-UHFFFAOYSA-N- Molecular formula
- C7H7NO4
- Average molar mass
- 169.13 g/mol
- Monoisotopic mass
- 169.0375077
Overview
N-3,4-tridhydroxybenzamide is a member of benzoic acids.
Names & identifiers
- Preferred name
- N,3,4-Trihydroxybenzamide
- IUPAC
- N,3,4-trihydroxybenzamide
- English name
- dido
- Molecular formula
- C7H7NO4
- Molecular weight
- 169.13
Names & synonyms
Didox69839-83-4N,3,4-Trihydroxybenzamide3,4-Dihydroxybenzohydroxamic acidNSC-324360Benzamide, N,3,4-trihydroxy-NSC 324360DTXSID90220134L106XFV0RQNSC324360RefChem:133311DTXCID90142625
Show more names
didoDidox, NSC-324360Didox ExclusiveDidox, 10 mM in DMSO4-Trihydroxybenzamide
3,4,N-Trihydroxy-benzamideVF 1473,4-Dihydroxyphenylhydroxamic acidUNII-L106XFV0RQN-3,4-TridhydroxybenzamideMFCD01667810N-3,4-TRIDHYDROXY-BENZAMIDEDidox, >=98% (HPLC)
Database identifiers
- CAS
69839-83-4- PubChem CID
- 3045
- DTXSID
DTXSID90220134- ChEMBL
CHEMBL367788- ChEBI
CHEBI:184074- UNII
- L106XFV0RQ
- Nikkaji
- J487.155C
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 207 °C · 207 °C
- Density
- 1.571 · 1.571±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- 60 · DMSO:60.0(Max Conc. mg/mL);354.76(Max Conc. mM)DMF:20.0(Max Conc. mg/mL);118.25(Max Conc. mM)Ethanol:20.0(Max Conc. mg/mL);118.25(Max Conc. mM)PBS (pH 7.2):10.0(Max Conc. mg/mL);59.13(Max Conc. mM)
- form
- A crystalline solid
- pka
- 8.16 · 8.16±0.20(Predicted)
- color
- Light yellow to khaki
- InChI
- InChI=1S/C7H7NO4/c9-5-2-1-4(3-6(5)10)7(11)8-12/h1-3,9-10,12H,(H,8,11)
- InChIKey
- QJMCKEPOKRERLN-UHFFFAOYSA-N
- SMILES
- C(NO)(=O)C1=CC=C(O)C(O)=C1
- FDA UNII
- 106 XFV0RQ · L106XFV0RQ
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD10 unreported in mouse: 643mg/kg
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications
DescriptionPolyhydroxylated aromatic compounds, both natural and synthetic, are important biological antioxidants. Didox is a simple, synthetic antioxidant that has been found to reduce the levels of oxidative injury markers in the brains of HIV patients with dementia. It also increases the radiosensitivity of cancer cells by inhibition of ribonucleotide reductase, resulting in a reduction of bcl-2 mediated resistance to apoptosis.
UsesDidox is a synthetic antioxidant that reduces oxidative injury levels.
Suppliers62 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
LGM Pharma
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…