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162220-36-2 | Benzeneacetic acid, α-cyclopentyl-α-hydroxy-, 3-methyl-3-azabicyclo[3.3.1]non-9-yl ester, hydrochloride (1:1)
CAS No: 162220-36-2 Catalog No: AG001SWB MDL No:MFCD06410868
Product Description
Catalog Number:
AG001SWB
Chemical Name:
Benzeneacetic acid, α-cyclopentyl-α-hydroxy-, 3-methyl-3-azabicyclo[3.3.1]non-9-yl ester, hydrochloride (1:1)
CAS Number:
162220-36-2
Molecular Formula:
C22H32ClNO3
Molecular Weight:
393.9474
MDL Number:
MFCD06410868
IUPAC Name:
[(1R,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
InChI:
InChI=1S/C22H31NO3.ClH/c1-23-14-16-8-7-9-17(15-23)20(16)26-21(24)22(25,19-12-5-6-13-19)18-10-3-2-4-11-18;/h2-4,10-11,16-17,19-20,25H,5-9,12-15H2,1H3;1H/t16-,17+,20?,22?;
InChI Key:
AUKYHFFECJXLHI-HCMPJQJDSA-N
SMILES:
CN1CC2CCCC(C1)C2OC(=O)C(c1ccccc1)(C1CCCC1)O.Cl
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
393.207g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.952g/mol
Monoisotopic Mass:
393.207g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Liquid chromatography-tandem mass spectrometry method for determination of phencynonate in rat blood and urine. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20051215 |
| Anticonvulsant effects of phencynonate hydrochloride and other anticholinergic drugs in soman poisoning: neurochemical mechanisms. | Life sciences 20051126 |
| Comparative study on pharmacological effects of DM-phencynonate hydrochloride and its optical isomers. | Acta pharmacologica Sinica 20051001 |
| [Anticonvulsant effect of phencynonate hydrochloride on maximal electroshock seizure and the metrazol seizure threshold test in mice]. | Yao xue xue bao = Acta pharmaceutica Sinica 20050601 |
| Pharmacological profiles of an anticholinergic agent, phencynonate hydrochloride, and its optical isomers. | Acta pharmacologica Sinica 20050501 |
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