3-Oxaspiro[5.5]undecan-9-one - CAS 1159280-53-1
Catalog: |
BB058427 |
Product Name: |
3-Oxaspiro[5.5]undecan-9-one |
CAS: |
1159280-53-1 |
Synonyms: |
3-Oxaspiro[5.5]undecan-9-one |
IUPAC Name: | 3-oxaspiro[5.5]undecan-9-one |
Description: | 1-(2-Methoxyphenyl)-2-methylpropan-2-amine Hydrochloride is a useful reseach chemical compound used in the preparation of N-spirocyclyl oxopiperazinylacetamide derivatives as CGRP antagonists useful in treatment of diseases. |
Molecular Weight: | 168.23 |
Molecular Formula: | C10H16O2 |
Canonical SMILES: | C1CC2(CCC1=O)CCOCC2 |
InChI: | InChI=1S/C10H16O2/c11-9-1-3-10(4-2-9)5-7-12-8-6-10/h1-8H2 |
InChI Key: | OOKHKTHERWWYQI-UHFFFAOYSA-N |
References: | Dreyer, A., et al. PCT Int. Appl. WO 2010139717, 185, (2010). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2438067-A1 | New compounds | 20090605 |
EP-2438067-B1 | Spirolactams as cgrp-antagonists | 20090605 |
JP-2012528827-A | New compounds | 20090605 |
JP-5449540-B2 | New compounds | 20090605 |
US-2012196872-A1 | New 5-alkynyl-pyridines | 20090605 |
US-8765763-B2 | Substituted piperazines as CGRP antagonists | 20090605 |
WO-2010139717-A1 | New compounds | 20090605 |
AU-2005202180-A1 | New pyrrolidine and thiazolidine compounds, a process for their preparation and pharmaceutical compositions containing them | 20040519 |
AU-2005202180-B2 | New pyrrolidine and thiazolidine compounds, a process for their preparation and pharmaceutical compositions containing them | 20040519 |
CA-2506491-C | Novel derivatives of pyrrolidines and thiazolidines, process for preparing them and pharmaceutical compositions containing them | 20040519 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.115029749 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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