Chem
J-GLOBAL ID：200907061374225005   Nikkaji number：J1.041.252H

Rofecoxib

ロフェコキシブ
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： C17H14O4S
Molecular formula furigana： C17-H14-O4-S
Molecular weight： 314.360
InChI： InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChI key： RZJQGNCSTQAWON-UHFFFAOYSA-N
SMILES： CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Systematic name  (7)：
  • 4-[4-(メチルスルホニル)フェニル]-3-フェニル-2(5H)-フラノン
  • 3-フェニル-4-[4-(メチルスルホニル)フェニル]フラン-2(5H)-オン
  • 3-フェニル-4-[4-(メチルスルホニル)フェニル]-2,5-ジヒドロフラン-2-オン
  • 4-[4-(メチルスルホニル)フェニル]-3-フェニルフラン-2(5H)-オン
  • 3-フェニル-4-(4-メチルスルホニルフェニル)-2(5H)-フラノン
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Other name (9)：
  • 4-[4-(Methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone
  • MK-966
  • 3-Phenyl-4-[4-(methylsulfonyl)phenyl]furan-2(5H)-one
  • 3-Phenyl-4-[4-(methylsulfonyl)phenyl]-2,5-dihydrofuran-2-one
  • ロフェコキシブ
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CAS registry number： 162011-90-7
KEGG DRUG： D00568
KEGG COMPOUND： C07590
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