3,4-Dihydrobenzo[b]azepine-2,5-dione - CAS 16511-38-9
Catalog: |
BB012168 |
Product Name: |
3,4-Dihydrobenzo[b]azepine-2,5-dione |
CAS: |
16511-38-9 |
Synonyms: |
3,4-dihydro-1H-1-benzazepine-2,5-dione; 3,4-dihydro-1H-1-benzazepine-2,5-dione |
IUPAC Name: | 3,4-dihydro-1H-1-benzazepine-2,5-dione |
Description: | Intermediate in the synthesis of protein kinase inhibitors. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | C1CC(=O)NC2=CC=CC=C2C1=O |
InChI: | InChI=1S/C10H9NO2/c12-9-5-6-10(13)11-8-4-2-1-3-7(8)9/h1-4H,5-6H2,(H,11,13) |
InChI Key: | VDTXDALRBZEUFV-UHFFFAOYSA-N |
Boiling Point: | 393.5 °C at 760 mmHg |
Density: | 1.224 g/cm3 |
LogP: | 1.73960 |
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-2021092456-A1 | Linking genomes and metabolomes in fungi | 20191107 |
US-2018161340-A1 | Methods and compositions for the prevention and treatment of hearing loss | 20150618 |
US-2020179397-A1 | Methods and compositions for the prevention and treatment of hearing loss | 20150618 |
WO-2016205806-A1 | Methods and compositions for the prevention and treatment of hearing loss | 20150618 |
EP-3310783-B1 | Compositions for the prevention of hearing loss | 20150618 |
PMID | Publication Date | Title | Journal |
16271293 | 20060201 | Synthesis and SAR of highly potent and selective dopamine D(3)-receptor antagonists: Quinolin(di)one and benzazepin(di)one derivatives. herve.geneste@abbott.com | Bioorganic & medicinal chemistry letters |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.063328530 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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