Ethyl 7,7a-dihydro-7-(hydroxyimino)benzo[b]cyclopropa[e]pyran-1a(1H)-carboxylate
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![Ethyl 7,7a-dihydro-7-(hydroxyimino)benzo[b]cyclopropa[e]pyran-1a(1H)-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0d4e35ee9c784926a5005691b2bb7ce9.png "Ethyl 7,7a-dihydro-7-(hydroxyimino)benzo[b]cyclopropa[e]pyran-1a(1H)-carboxylate")
Ethyl 7,7a-dihydro-7-(hydroxyimino)benzo[b]cyclopropa[e]pyran-1a(1H)-carboxylate
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CAS No:
179067-99-3
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Formula:
C13H13NO4
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Chemical Name:
Ethyl 7,7a-dihydro-7-(hydroxyimino)benzo[b]cyclopropa[e]pyran-1a(1H)-carboxylate
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Synonyms:
Benzo[b]cyclopropa[e]pyran-1a(1H)-carboxylic acid,7,7a-dihydro-7-(hydroxyimino)-,ethyl ester;Ethyl 7,7a-dihydro-7-(hydroxyimino)benzo[b]cyclopropa[e]pyran-1a(1H)-carboxylate;CPCCOEt
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CAS No:
Ethyl 7,7a-dihydro-7-(hydroxyimino)benzo[b]cyclopropa[e]pyran-1a(1H)-carboxylate Basic Attributes
247.25
247.25
Ethyl 7,7a-dihydro-7-(hydroxyimino)benzo[b]cyclopropa[e]pyran-1a(1H)-carboxylate Use and Manufacturing
hmGlu 1 subtype-selective non-competitive antagonist (IC 50 = 6.5 μ M). Has no agonist or antagonist activity at hmGlu 2, 4a, 5a, 7b, 8a or ionotropic receptors at concentrations of up to 100 μ M.
Computed Properties
Molecular Weight:247.25
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:247.08445790
Monoisotopic Mass:247.08445790
Topological Polar Surface Area:68.1
Heavy Atom Count:18
Complexity:395
Undefined Atom Stereocenter Count:2
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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