Details of the Drug

General Information of Drug (ID: DMP6GNY)

Drug Name

Firocoxib

Synonyms

Firocoxib; 189954-96-9; Equioxx; Previcox; Equixx; Librens; UNII-Y6V2W4S4WT; Y6V2W4S4WT; CHEMBL69998; CHEBI:76136; 3-(CYCLOPROPYLMETHOXY)-5,5-DIMETHYL-4-[4-(METHYLSULFONYL)PHENYL]-2(5H)-FURANONE; ML 1785713; 3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one; 3-(Cyclopropylmethoxy)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)furan-2(5H)-one; Firocoxib [USAN:INN]; firocoxibum; 3-(cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]furan-2(5H)-one; Firocoxib (USAN/INN); AC1L4LLA; ML-1,785,713

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

336.4

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C17H20O5S
IUPAC Name: 3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
Canonical SMILES: CC1(C(=C(C(=O)O1)OCC2CC2)C3=CC=C(C=C3)S(=O)(=O)C)C
InChI: InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3
InChIKey: FULAPETWGIGNMT-UHFFFAOYSA-N