Deacetylketoconazole
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Deacetylketoconazole
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CAS No:
67914-61-8
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Formula:
C24H26Cl2N4O3
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Chemical Name:
Deacetylketoconazole
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Synonyms:
Piperazine,1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-,rel-;Piperazine,1-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-,cis-;rel-1-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine;Deacylketoconazole;R 39519;Deacetylketoconazole;N-Deacetylketoconazole;75052-06-1;581806-67-9
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CAS No:
Safety Information
P201, P202, P264, P270, P273, P281, P301+P310, P308+P313, P321, P330, P391, P405, P501
H301
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P264, P270, P273, P281, P301+P310, P308+P313, P321, P330, P391, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:489.4
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:488.1381961
Monoisotopic Mass:488.1381961
Topological Polar Surface Area:60.8
Heavy Atom Count:33
Complexity:621
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes