3-(4-tert-butylcyclohexyl)-4-hydroxynaphthalene-1,2-dione
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3-(4-tert-butylcyclohexyl)-4-hydroxynaphthalene-1,2-dione
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CAS No:
86790-29-6
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Formula:
C20H24O3
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Chemical Name:
3-(4-tert-butylcyclohexyl)-4-hydroxynaphthalene-1,2-dione
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Synonyms:
2-(4-tert-butylcyclohexyl)-3-hydroxy-1,4-naphthoquinone;58C80;BW 58C;BW 58C, (trans)-isomer;BW-58C;BW58C;Bupravaquone;BW 58C;BW-A 58C;2-(4'-t-Butylcyclohexyl)-3-hydroxy-1,4-naphthoquinone;94015-46-0;2-(4-(1,1-Dimethylethyl)cyclohexyl)-3-hydroxy-1,4-naphthalenedione;3-(4-tert-butylcyclohexyl)-4-hydroxynaphthalene-1,2-dione;86790-29-6;58C80;2-[4-(1,1-Dimethylethyl)cyclohexyl]-3-hydroxy-1,4-naphthalenedione;1,4-Naphthalenedione, 2-(4-(1,1-dimethylethyl)cyclohexyl)-3-hydroxy-, trans-;trans-2-(4-(1,1-Dimethylethyl)cyclohexyl)-3-hydroxy-1,4-naphthalenedione;SCHEMBL917366;SCHEMBL1151720;SCHEMBL1542903;CHEMBL4524847;SCHEMBL13832378;2-(4-tert-butylcyclohexyl)-3-hydroxy-1,4-naphthoquinone;DTXSID80916695;ZINC5114256;1,4-Naphthalenedione, 2-(4-(1,1-dimethylethyl)cyclohexyl)-3-hydroxy-;DB06740;58C-80;2-(4-t-butylcyclohexyl)-3-hydroxy-1,4-naphthoquinone;cis 2-(4'-t-butylcyclohexyl)-3-hydroxy-1,4-naphthoquinone;cis-2-(4-t-butylcyclohexyl)-3-hydroxy-1,4-naphthquinone;cis-2-hydroxy-3-(4-t-butylcyclohexyl)-1,4-naphthquinone;trans-2-hydroxy-3-(4-t-butylcyclohexyl)-1,4-naphthquinone;C1CC(C(C)(C)C)CCC1C1=C(O)C(=O)C2=CC=CC=C2C1=O;2-Hydroxy-3-[(1alpha)-4alpha-tert-butylcyclohexyl]-1,4-naphthoquinone
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CAS No:
Description
BW-A 58C, also known as 2-(4-tert-butylcyclohexyl)-3-hydroxy-1,4-naphthoquinone, is an experimental naphthoquinone antimalarial drug which undergoes extensive alkyl hydroxylation to a single t-butylhydroxy metabolite in man in vivo and also in human liver microsomes, where this is catalysed primarily by a 54 kDa CYP2C9 form of cytochrome P450, P450hB20-27.
3-(4-tert-butylcyclohexyl)-4-hydroxynaphthalene-1,2-dione Basic Attributes
312.4 g/mol
312.17254462 g/mol
Drug Information
58c80 has known human metabolites that include 298C84.
2-(4-tert-butylcyclohexyl)-3-hydroxy-1,4-naphthoquinone
Computed Properties
Molecular Weight:312.4
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:312.17254462
Monoisotopic Mass:312.17254462
Topological Polar Surface Area:54.4
Heavy Atom Count:23
Complexity:530
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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