4,4-Pentamethylene-2-pyrrolidinone - CAS 64744-50-9
Catalog: |
BB032549 |
Product Name: |
4,4-Pentamethylene-2-pyrrolidinone |
CAS: |
64744-50-9 |
Synonyms: |
2-azaspiro[4.5]decan-3-one |
IUPAC Name: | 2-azaspiro[4.5]decan-3-one |
Description: | Gabapentin Related Compound A, a cell permeable compound, has been reported to reduce oxygen glucose deprivation-induced [3H]glutamate release in rat ischemia hippocampal slices. It reduces protein aggregates and improves motor performance in a transgenic. |
Molecular Weight: | 153.22 |
Molecular Formula: | C9H15NO |
Canonical SMILES: | C1CCC2(CC1)CC(=O)NC2 |
InChI: | InChI=1S/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11) |
InChI Key: | JAWPQJDOQPSNIQ-UHFFFAOYSA-N |
Boiling Point: | 181 °C / 13 mmHg |
Melting Point: | 89-90 °C |
Purity: | 96 % |
Density: | 1.05 g/cm3 |
Appearance: | White to off-white solid |
MDL: | MFCD00177938 |
LogP: | 1.78560 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112321442-A | Salt of gabapentin and 2, 6-pyridinedicarboxylic acid, preparation method and application thereof | 20201106 |
CN-112358530-A | Polypeptide tag, highly soluble recombinant nitrilase and application of polypeptide tag and highly soluble recombinant nitrilase in synthesis of medicinal chemicals | 20201103 |
CN-112358530-B | Polypeptide tag, highly soluble recombinant nitrilase and application of polypeptide tag and highly soluble recombinant nitrilase in synthesis of medicinal chemicals | 20201103 |
CN-111172140-A | Nitrilase mutant and application thereof in preparation of anti-epileptic drug intermediate | 20200121 |
WO-2021110076-A1 | Oxamide derivatives, preparation method therefor and use thereof in medicine | 20191204 |
PMID | Publication Date | Title | Journal |
22419014 | 20120601 | Kinetic model for solid-state degradation of gabapentin | Journal of pharmaceutical sciences |
21744168 | 20110901 | The stabilizing effect of moisture on the solid-state degradation of gabapentin | AAPS PharmSciTech |
20386654 | 20100203 | Novel neuroprotective strategies in ischemic retinal lesions | International journal of molecular sciences |
21580051 | 20091216 | Gabapentin-lactum-chloranilic acid (1/1) | Acta crystallographica. Section E, Structure reports online |
17935923 | 20080107 | Development and application of a validated HPLC method for the analysis of dissolution samples of gabapentin drug products | Journal of pharmaceutical and biomedical analysis |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.115364102 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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