Compound Summary
3,5-dinitrocatechol
Compound Information
3,5-dinitrocatechol
Compound Name: | 3,5-dinitrocatechol |
Compound CID: | 3870203 |
Synonyms: | 3,5-dinitrocatechol 7659-29-2 3,5-dinitrobenzene-1,2-diol OR-486 3,5-Dinitro-1,2-benzenediol More... |
Iupac Name: | 3,5-dinitrobenzene-1,2-diol |
InChI: | InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H |
InChIKey: | VDCDWNDTNSWDFJ-UHFFFAOYSA-N |
Canonical Smiles: | C1=C(C=C(C(=C1[N+](=O)[O-])O)O)[N+](=O)[O-] |
Isomeric Smiles: | C1=C(C=C(C(=C1[N+](=O)[O-])O)O)[N+](=O)[O-] |
Molecular Weight: | 200.11 |
Molecular Formula: | C6H4N2O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
3,5-dinitrocatechol
Molecular Weight: | 200.11 |
Molecular Formula: | C6H4N2O6 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 14 |
Complexity: | 246 |
Synonyms
3,5-dinitrocatechol
| 3,5-dinitrocatechol | 3,5-dinitrocatechol |
|---|---|
3,5-dinitrocatechol |
7659-29-2 |
3,5-dinitrobenzene-1,2-diol |
OR-486 |
3,5-Dinitro-1,2-benzenediol |
3,5-Dinitropyrocatechol |
OR 486 |
UNII-VK0VA22GY2 |
Entacapone EP Impurity E |
VK0VA22GY2 |
3,5-DINITROCATECHOL (OR-486) |
CHEMBL168276 |
MFCD00069263 |
OR486;OR-486 |
3,5-DINITRO-BENZENE-1,2-DIOL |
OR486 |
Pyrocatechol, 3,5-dinitro- |
1,2-Benzenediol, 3,5-dinitro- |
SR-01000075610 |
Ro 12812 |
BRN 2217246 |
Ro 01-2812 |
Spectrum_000187 |
Tocris-0483 |
Lopac-D-131 |
Spectrum2_001109 |
Spectrum4_000747 |
Spectrum5_001163 |
3,5-Dinitrocatechol, solid |
Lopac0_000477 |
KBioGR_001074 |
KBioSS_000667 |
MLS002153481 |
DivK1c_000067 |
SPECTRUM1503631 |
SPBio_001218 |
SCHEMBL1283419 |
HMS500D09 |
KBio1_000067 |
KBio2_000667 |
KBio2_003235 |
KBio2_005803 |
DTXSID00227391 |
NINDS_000067 |
HMS2231O07 |
HMS3261O16 |
HMS3266E12 |
HMS3372N08 |
HMS3411O17 |
HMS3675O17 |
ZINC2170217 |
Tox21_500477 |
BBL002796 |
BDBM50017846 |
CCG-39769 |
STK384959 |
AKOS003672486 |
DB02105 |
LP00477 |
MCULE-2217464591 |
SDCCGSBI-0050461.P003 |
IDI1_000067 |
NCGC00015309-01 |
NCGC00015309-02 |
NCGC00015309-03 |
NCGC00015309-04 |
NCGC00015309-05 |
NCGC00015309-06 |
NCGC00015309-08 |
NCGC00024612-01 |
NCGC00024612-02 |
NCGC00024612-03 |
NCGC00024612-04 |
NCGC00261162-01 |
(OR-486) |
SMR000326837 |
B5006 |
EU-0100477 |
FT-0714708 |
ST50411667 |
Q223026 |
SR-01000075610-1 |
SR-01000075610-3 |
Experimental Data
3,5-dinitrocatechol
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -1.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
3,5-dinitrocatechol
Statistics Data
3,5-dinitrocatechol
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -1.000000000000000 | 1 | 1 |
Statistics Data Visualization
3,5-dinitrocatechol
