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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > sulfone > rofecoxib
... > organooxygen compound > ester > carboxylic ester > lactone > gamma-lactone > butenolide > rofecoxib
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > butenolide > rofecoxib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > butenolide > rofecoxib
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > butenolide > rofecoxib
... > organooxygen compound > ester > lactone > gamma-lactone > butenolide > rofecoxib
... > organooxygen compound > oxacycle > lactone > gamma-lactone > butenolide > rofecoxib
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > butenolide > rofecoxib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > butenolide > rofecoxib
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > butenolide > rofecoxib
organooxygen compound > oxacycle > furans > butenolide > rofecoxib
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > furans > butenolide > rofecoxib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > furans > butenolide > rofecoxib
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > furans > butenolide > rofecoxib
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > furans > butenolide > rofecoxib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > furans > butenolide > rofecoxib
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > furans > butenolide > rofecoxib

Preferred term

rofecoxib  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C17H14O4S

has_role

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

inchikey

  • RZJQGNCSTQAWON-UHFFFAOYSA-N

mass

  • 314.35600

monoisotopicmass

  • 314.06128

smiles

  • CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1

subset

  • 3_STAR

synonym EXACT

  • 4-[4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one
  • Rofecoxib

synonym RELATED

  • 3-phenyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone
  • 4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone
  • Ceoxx
  • rofecoxib
  • rofecoxibum
  • Vioxx

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:8887

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