Brequinar Sodium
sodium 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
Molecular Identity
Brequinar Sodium
sodium 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
PubChem CID: 23663964
Brequinar sodium is an organic sodium salt of brequinar. It has a role as an anticoronaviral agent, an antiviral agent, an antimetabolite, an antineoplastic agent, an immunosuppressive agent, a pyrimidine synthesis inhibitor and an EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor. It contains a brequinar(1-).
2D Structure
Properties
C23H14F2NNaO2
Molecular Formula
397.30
Molecular Weight
g/mol
397.0890
Exact Mass
Da
53
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
557
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)[O-].[Na+]Isomeric SMILES
SMILES: CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)[O-].[Na+]Synonyms(20)
BREQUINAR SODIUM96201-88-6Brequinar sodium saltDup 785Dup-78549EEF6HRUSDTXSID30242173CHEBI:177871Sodium 6-fluoro-2-(2'-fluoro-4-biphenylyl)-3-methyl-4-quinolinecarboxylate6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methyl-4-quinolinecarboxylic acid sodiumRefChem:121329DTXCID30164664sodium 6-fluoro-2-(2'-fluoro-[1,1'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylateBrequinar (sodium)MFCD22648381
Data from PubChem (NCBI)
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Trials and conditions connected to Brequinar Sodium
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