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atovaquone

Go to external page http://purl.obolibrary.org/obo/CHEBI_575568

A naphthoquinone compound having a 4-(4-chlorophenyl)cyclohexyl group at the 2-position and a hydroxy substituent at the 3-position.

Term info

Label

atovaquone

Synonyms
  • 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone
database cross reference
Subsets

3_STAR

IUPAC NAME
2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone [ IUPAC ]

INN
atovaquone [ KEGG_DRUG ]

charge

0

formula

C22H19ClO3

has alternative id

CHEBI:2912

has obo namespace

chebi_ontology

has related synonym

Mepron, 2-(trans-4-(p-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone, atovaquone, Wellvone, Acuvel

id

CHEBI:575568

inchi

InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-

inchikey

KUCQYCKVKVOKAY-CTYIDZIISA-N

mass

366.83700

monoisotopicmass

366.10227

smiles

OC1=C([C@H]2CC[C@@H](CC2)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O