Basic information
- CAS
90523-31-2- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCNC(=O)c2ccc(N=[N+]=[N-])cc2)C1c1ccccc1C(F)(F)F- InChIKey
SWMHKFTXBOJETC-UHFFFAOYSA-N- Molecular formula
- C27H26F3N5O5
- Average molar mass
- 557.5 g/mol
- Monoisotopic mass
- 557.18860343
Overview
Azidopine is a member of benzamides.
Names & identifiers
- Preferred name
- 3-(2-((4-Azidobenzoyl)amino)ethyl) 5-ethyl 1,4-dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-3,5-pyridinedicarboxylate
- IUPAC
- 5-O-[2-[(4-azidobenzoyl)amino]ethyl] 3-O-ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- Azidopine
- Molecular formula
- C27H26F3N5O5
- Molecular weight
- 0
Names & synonyms
Azidopine90523-31-263XR70204A3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-, 2-((4-azidobenzoyl)amino)ethyl ethyl esterO5-[2-[(4-azidobenzoyl)amino]ethyl] O3-ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylateO3-(2-((4-azidobenzoyl)amino)ethyl) O5-ethyl 2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylateO3-[2-[(4-azidobenzoyl)amino]ethyl] O5-ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylateO5-(2-((4-azidobenzoyl)amino)ethyl) O3-ethyl 2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylateRefChem:9108943-(2-((4-Azidobenzoyl)amino)ethyl) 5-ethyl 1,4-dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-3,5-pyridinedicarboxylateNSC6179995-O-[2-[(4-azidobenzoyl)amino]ethyl] 3-O-ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Show more names
3-[2-[(4-Azidobenzoyl)amino]ethyl] 5-ethyl 1,4-dihydro-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,5-pyridinedicarboxylate
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,070
Physicochemical properties
- FDA UNII
- 63 XR70204A · 63XR70204A
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Analogs of those substrates or compounds which bind naturally at the active sites of proteins, enzymes, antibodies, steroids, or physiological receptors. These analogs form a stable covalent bond at the binding site, thereby acting as inhibitors of the proteins or steroids.
Suppliers3 total
吉林中科研伸科技有限公司18143011203 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Azidopine is a member of benzamides.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…