Albaconazole

Albaconazole
Clinical data
ATC code	none;
Identifiers
	IUPAC name 7-Chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one;
CAS Number	187949-02-6 ;
PubChem CID	208952;
ChemSpider	181045 ;
UNII	YDW24Y8IAB;
KEGG	D09702 ;
ChEMBL	CHEMBL298817 ;
Chemical and physical data
Formula	C20H16ClF2N5O2
Molar mass	431.823146 g/mol
3D model (JSmol)	Interactive image;
	SMILES Fc1ccc(c(F)c1)[C@](O)([C@H](N3\C=N/c2cc(Cl)ccc2C3=O)C)Cn4ncnc4;
	InChI InChI=1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1 ; Key:UHIXWHUVLCAJQL-MPBGBICISA-N ;
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Albaconazole (code name UR-9825) is a triazole antifungal. It has potential broad-spectrum activity, and exhibits extremely potent inhibition of numerous prominent CYP450 hepatic enzymes.

References

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Clinical data

ATC code	none
Identifiers
IUPAC name 7-Chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one
CAS Number	187949-02-6^Y
PubChem CID	208952
ChemSpider	181045^Y
UNII	YDW24Y8IAB
KEGG	D09702^Y
ChEMBL	CHEMBL298817^Y
Chemical and physical data
Formula	C₂₀H₁₆ClF₂N₅O₂
Molar mass	431.823146 g/mol
3D model (JSmol)	Interactive image
SMILES Fc1ccc(c(F)c1)[C@](O)([C@H](N3\C=N/c2cc(Cl)ccc2C3=O)C)Cn4ncnc4
InChI InChI=1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1^Y Key:UHIXWHUVLCAJQL-MPBGBICISA-N^Y
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