Chem
J-GLOBAL ID：200907077472490632   Nikkaji number：J389.528I

Atovaquone

アトバコン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C22H19ClO3
Molecular formula furigana： C22-H19-CL-O3
Molecular weight： 366.840
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-
InChI key： KUCQYCKVKVOKAY-CTYIDZIISA-N
SMILES： OC1=C([C@H]2CC[C@@H](CC2)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O
Systematic name  (4)：
  • 3-ヒドロキシ-2-[4β-(4-クロロフェニル)シクロヘキサン-1α-イル]ナフタレン-1,4-ジオン
  • 2-[(1α)-4β-(4-クロロフェニル)シクロヘキシル]-3-ヒドロキシ-1,4-ナフトキノン
  • 2-ヒドロキシ-3-[(1r,4r)-4-(4-クロロフェニル)シクロヘキシル]-1,4-ジヒドロナフタレン-1,4-ジオン
  • 2-hydroxy-3-[(1r,4r)-4-(4-chlorophenyl)cyclohexyl]-1,4-dihydronaphthalene-1,4-dione
Other name (9)：
  • 566C80
  • 3-Hydroxy-2-[4β-(4-chlorophenyl)cyclohexan-1α-yl]naphthalene-1,4-dione
  • アトバクオン
  • Atovaquone
  • アトバコン
Show all
CAS registry number： 95233-18-4
Regulation number (1)：
  • 7-(3)-932
KEGG DRUG： D00236
KEGG COMPOUND： C06835
Application (4)：
drug for respiratory system ,  antimalarial drug ,  antiprotozoan agent ,  antifungal drug
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