Compound: BRL-32872 free base
SMILES: O=[N+]([O-])c1ccc(C(=O)N(c2cc(OC)c(OC)cc2)CCCN(CCc3cc(OC)c(OC)cc3)C)cc1
InChIKey: ADAGRLDCCJAKFP-UHFFFAOYSA-N
Synonyms: BRL-32872 free base, UMV604ENM8, 113241-09-1, Benzamide, N-(3,4-dimethoxyphenyl)-N-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-4-nitro-, UNII-UMV604ENM8, CHEMBL182646, BRL-32872A, N-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-nitrobenzamide, SCHEMBL30357973, DTXSID401116795, BDBM50151867, N-(3,4-dimethoxyphenyl)-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}propyl)-4-nitrobenzamide, N-(3,4-Dimethoxyphenyl)-N-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-4-nitrobenzamide, Q4836374, N-(3,4-Dimethoxy-phenyl)-N-(3-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-propyl)-4-nitro-benzamide
Theoretical properties:
molecular_formula: C29H35N3O7
molecular_weight: 537.6 g/mol
exact_mass: 537.24750046 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 8
rotatable_bond_count: 13
heavy_atom_count: 39
topological_polar_surface_area: 106 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
{"pubchem": null, "chebi": null, "chembl": "Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.", "wikipedia": "Ketamine is a cyclohexanone-derived general anesthetic and NMDA receptor antagonist with analgesic and hallucinogenic properties, used medically for anesthesia, depression, and pain management. Ketamine exists as its two enantiomers, S- (esketamine) and R- (arketamine), and has antidepressant action likely involving NMDA antagonism as well as other mechanisms.\nAt anesthetic doses, ketamine induces a state of dissociative anesthesia, a trance-like state providing pain relief, sedation, and amnesia. Its distinguishing features as an anesthetic are preserved breathing and airway reflexes, stimulated heart function with increased blood pressure, and moderate bronchodilation.  As an anesthetic, it is used especially in trauma, emergency, and pediatric cases. At lower, sub-anesthetic doses, it is used as a treatment for pain and treatment-resistant depression.\nKetamine is legally used in medicine but is also tightly controlled, as it is used as a recreational drug for its hallucinogenic and dissociative effects. When used recreationally, it is found both in crystalline powder and liquid form, and is often referred to by users as \"Ket\", \"Special K\" or simply \"K\". The long-term effects of repeated use are largely unknown and are an area of active investigation. Liver and urinary toxicity have been reported among regular users of high doses of ketamine for recreational purposes.  Ketamine can cause dissociation and nausea, and other adverse effects, and is contraindicated in severe heart or liver disease, and uncontrolled psychosis. Ketamine's clinical and antidepressant effects can be influenced by co-administration of other drugs, though these interactions are variable and not yet fully understood.\nKetamine was first synthesized in 1962; it was derived from phencyclidine in pursuit of a safer anesthetic with fewer hallucinogenic effects. It was approved for use in the United States in 1970. It has been regularly used in veterinary medicine and was extensively used for surgical anesthesia in the Vietnam War.  It later gained prominence for its rapid antidepressant effects discovered in 2000, marking a major breakthrough in depression treatment. Racemic ketamine, especially at higher doses, may be more effective and longer-lasting than esketamine in reducing depression severity. It is on the World Health Organization's List of Essential Medicines. It is available as a generic medication."}