Dibenzo[b,f][1,4]oxazepin-11(10H)-one - CAS 3158-85-8
Catalog: |
BB020986 |
Product Name: |
Dibenzo[b,f][1,4]oxazepin-11(10H)-one |
CAS: |
3158-85-8 |
Synonyms: |
5H-benzo[b][1,4]benzoxazepin-6-one; 5H-benzo[b][1,4]benzoxazepin-6-one |
IUPAC Name: | 5H-benzo[b][1,4]benzoxazepin-6-one |
Description: | Dibenzo[b,f][1,4]oxazepin-11(10H)-one (CAS# 3158-85-8) is a Loxapine (L472750) impurity, a D2/D4-Dopamine receptor antagonist. A serotonergic receptor antagonist. A dibenzoxazepine antipsychotic agent. |
Molecular Weight: | 211.22 |
Molecular Formula: | C13H9NO2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3O2 |
InChI: | InChI=1S/C13H9NO2/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15) |
InChI Key: | OXMPDOZBQGHTGH-UHFFFAOYSA-N |
Boiling Point: | 277.4 ℃ at 760 mmHg |
Density: | 1.261 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00005074 |
LogP: | 3.18260 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021184059-A1 | Treatment methods | 20200314 |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
WO-2021119183-A1 | Tricyclic compounds with oma1/opa1 modulatory properties | 20191213 |
US-2021114989-A1 | Piperazine substituted azapine derivatives and uses thereof | 20191021 |
US-11046651-B2 | Piperazine substituted azapine derivatives and uses thereof | 20191021 |
PMID | Publication Date | Title | Journal |
1375293 | 19920515 | Novel non-nucleoside inhibitors of HIV-1 reverse transcriptase. 2. Tricyclic pyridobenzoxazepinones and dibenzoxazepinones | Journal of medicinal chemistry |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.063328530 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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