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Basic information
- CAS
143943-73-1- Standard SMILES
CCO[C@H]1CCN(C(=O)c2cc(-c3ccccc3)c(=O)n3c2-c2cc(Cl)ccc2CC3)C1- InChIKey
CBSWRAUYCIIUEI-FQEVSTJZSA-N- Molecular formula
- C26H25ClN2O3
- Average molar mass
- 448.9 g/mol
- Monoisotopic mass
- 448.1553704
Names & identifiers
- Preferred name
- (S)-1-((10-chloro-6,7-dihydro-4-oxo-3-phenyl-4H-benzo(a)quinolizin-1-yl)carbonyl)-3-ethoxypyrrolidine
- IUPAC
- 10-chloro-1-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
- English name
- Lirequinil
- Molecular formula
- C26H25ClN2O3
- Molecular weight
- 448.948
Names & synonyms
(S)-1-((10-chloro-6,7-dihydro-4-oxo-3-phenyl-4H-benzo(a)quinolizin-1-yl)carbonyl)-3-ethoxypyrrolidine(S)-1-[(10-chloro-6,7-dihydro-4-oxo-3-phenyl-4H-benzo[a]quinolizin-1-yl)carbonyl]-3-ethoxypyrrolidineRefChem:906443Lirequinil143943-73-1Lirequinil [INN]Ro-41-36962VUW1087AD10-chloro-1-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-oneRO41-3696(3s)-1-((10-Chloro-6,7-dihydro-4-oxo-3-phenyl-4H-benzo(a)quinolizin-1-yl)carbonyl)-3-ethoxypyrrolidine.(3S)-1-((10-Chloro-6,7-dihydro-4-oxo-3-phenyl-4H-benzo(a)quinolizin-1-yl)carbonyl)-3-ethoxypyrrolidine
Show more names
4H-Benzo[a]quinolizin-4-one, 10-chloro-1-[[(3S)-3-ethoxy-1-pyrrolidinyl]carbonyl]-6,7-dihydro-3-phenyl-
UNII-2VUW1087ADLirequiniloSCHEMBL600240orb1700139CHEMBL2105118DTXSID80162579CBSWRAUYCIIUEI-FQEVSTJZSA-NAKOS040748753
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 816
Physicochemical properties
- FDA UNII
- 2 VUW1087AD · 2VUW1087AD
Chemistry & industry
Applications
UsesLirequinil can be useful in the study of tolerability, pharmacodynamics, and pharmacokinetics of Ro 41-3696 metabolite and zolpidem.
Suppliers6 total
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
4 records
Compound notes
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