Ciladopa
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Ciladopa
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CAS No:
80109-27-9
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Formula:
C21H26N2O4
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Chemical Name:
Ciladopa
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Synonyms:
2,4,6-Cycloheptatrien-1-one,2-[4-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-piperazinyl]-;2,4,6-Cycloheptatrien-1-one,2-[4-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-piperazinyl]-,(S)-;2-[4-[(2S)-2-(3,4-Dimethoxyphenyl)-2-hydroxyethyl]-1-piperazinyl]-2,4,6-cycloheptatrien-1-one;AY 27110;Ciladopa
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CAS No:
Characteristics
62.2
1.92250
1.213g/cm3
122-124 °C @ Solvent: Chloroform, Hexane
571.6ºC at 760 mmHg
299.5ºC
1.593
Drug Information
2-(4-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)-1-piperazinyl)-2,4,6-cycloheptatrien-1-one
Computed Properties
Molecular Weight:370.4
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:370.18925731
Monoisotopic Mass:370.18925731
Topological Polar Surface Area:62.2
Heavy Atom Count:27
Complexity:593
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes