Compound: 130477-52-0
SMILES: O=C1N2[C@H](c3c(ncn3-c4c1cc(OC)cc4)C(=O)OCC)CCC2
InChIKey: YKYOQIXTECBVBB-AWEZNQCLSA-N
Synonyms: 130477-52-0, L-655708, L-655,708, L4BX842T8C, L 655708, DTXSID901017625, (13aS)-11,12,13,13a-Tetrahydro-7-methoxy-9-oxo-9H-imidazo(1,5-a)pyrrolo(2,1-C)(1,4)benzodiazepine-1-carboxylic acid ethyl ester, L655708, (13aS)-11,12,13,13a-Tetrahydro-7-methoxy-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylic acid ethyl ester, RefChem:201391, L 655,708, DTXCID301475809, ethyl 15-methoxy-12-oxo-2,4,11-triazatetracyclo(11.4.0.0^(2,6).0^(7,11))heptadeca-1(13),3,5,14,16-pentaene-5-carboxylate, 9H-Imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylic acid, 11,12,13,13a-tetrahydro-7-methoxy-9-oxo-, ethyl ester, (13aS)-, MFCD02684528, CHEMBL52030, Ethyl (S)-11,12,13,13a-Tetrahydro-7-methoxy-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate, Ethyl (7S)-15-methoxy-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate, ethyl (13aS)-7-methoxy-9-oxo-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate, 9H-Imidazo(1,5-a)pyrrolo(2,1-C)(1,4)benzodiazepine-1-carboxylic acid, 11,12,13,13a-tetrahydro-7-methoxy-9-oxo-, ethyl ester, (13aS)-, ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate, Ethyl (S)-7-Methoxy-9-oxo-11,12,13,13a-tetrahydro-9H-benzo[e]imidazo[5,1-c]pyrrolo[1,2-a][1,4]diazepine-1-carboxylate, MSD, Lopac0_000700, UNII-L4BX842T8C, orb1679033, SCHEMBL5533646, SCHEMBL29692711, YKYOQIXTECBVBB-AWEZNQCLSA-N, GLXC-20156, HMS3262K21, HMS3412G18, HMS3676G18, FFA47752, Tox21_500700, BDBM50067424, AKOS024456530, CCG-204785, CS-4943, FG-8094, LP00700, SDCCGSBI-0050678.P002, NCGC00025115-02, NCGC00025115-03, NCGC00025115-04, NCGC00261385-01, DA-54739, HY-14426, MS-25212, SY261215, EU-0100700, F18509, L 9787, L-655,708, >=98% (HPLC), powder, SR-01000075970, SR-01000597405, Q6456072, SR-01000075970-1, SR-01000597405-1, BRD-K13474508-001-01-2, (S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulene-3-carboxylic acid ethyl ester, (S)-Ethyl 7-methoxy-9-oxo-11,12,13,13a-tetrahydro-9H-benzo[e]imidazo[5,1-c]pyrrolo[1,2-a][1,4]diazepine-1-carboxylate, 9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulene-3-carboxylic acid ethyl ester(MSD), 9H-Imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylicacid,11,12,13,13a-tetrahydro-7-methoxy-9-oxo-,ethyl ester,(13as)-, Ethyl(S)-11,12,13,13a-tetrahydro-7-methoxy-9-oxo-9H-imidazo[1,5-a]pyrro-lo[2,1-c][1,4]-benzodiazepine-1-carboxylate, QMJ
Theoretical properties:
molecular_formula: C18H19N3O4
molecular_weight: 341.4 g/mol
exact_mass: 341.13755610 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 4
heavy_atom_count: 25
topological_polar_surface_area: 73.7 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": "The tables below contain a sample list of benzodiazepines and benzodiazepine analogs that are commonly prescribed, with their basic pharmacological characteristics, such as half-life and equivalent doses to other benzodiazepines, also listed, along with their trade names and primary uses. The elimination half-life is how long it takes for half of the drug to be eliminated by the body. \"Time to peak\" refers to when maximum levels of the drug in the blood occur after a given dose. Benzodiazepines generally share the same pharmacological properties, such as anxiolytic, sedative, hypnotic, skeletal muscle relaxant, amnesic, and anticonvulsant effects. Variation in potency of certain effects may exist amongst individual benzodiazepines. Some benzodiazepines produce active metabolites. Active metabolites are produced when a person's body metabolizes the drug into compounds that share a similar pharmacological profile to the parent compound and thus are relevant when calculating how long the pharmacological effects of a drug will last. Long-acting benzodiazepines with long-acting active metabolites, such as diazepam and chlordiazepoxide, are often prescribed for benzodiazepine or alcohol withdrawal as well as for anxiety if constant dose levels are required throughout the day. Shorter-acting benzodiazepines are often preferred for insomnia due to their lesser hangover effect.\nIt is fairly important to note that elimination half-life of diazepam and chlordiazepoxide, as well as other long half-life benzodiazepines, is twice as long in the elderly compared to younger individuals. Due to increased sensitivity and potentially dangerous adverse events among elderly patients, it is recommended to avoid prescribing them as specified by the 2015 American Geriatrics Society Beers Criteria.  Individuals with an impaired liver also metabolize benzodiazepines more slowly. Thus, the approximate equivalent of doses below may need to be adjusted accordingly in individuals on short acting benzodiazepines who metabolize long-acting benzodiazepines more slowly and vice versa. The changes are most notable with long acting benzodiazepines as these are prone to significant accumulation in such individuals and can lead to withdrawal symptoms. For example, the equivalent dose of diazepam in an elderly individual on lorazepam may be half of what would be expected in a younger individual. Equivalent doses of benzodiazepines differ as much as 20 fold."}