Abunidazole

Abunidazole
Names
	IUPAC name 4-tert-Butyl-2-[hydroxy-(1-methyl-5-nitroimidazol-2-yl)methyl]phenol
Identifiers
CAS Number	91017-58-2 ;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL301926 ;
ChemSpider	148962 ;
PubChem CID	170365;
UNII	6EH821150I ;
CompTox Dashboard (EPA)	DTXSID60869074 ;
	InChI InChI=1S/C15H19N3O4/c1-15(2,3)9-5-6-11(19)10(7-9)13(20)14-16-8-12(17(14)4)18(21)22/h5-8,13,19-20H,1-4H3 Key: DBOZSKOENGSGEJ-UHFFFAOYSA-N ; InChI=1/C15H19N3O4/c1-15(2,3)9-5-6-11(19)10(7-9)13(20)14-16-8-12(17(14)4)18(21)22/h5-8,13,19-20H,1-4H3 Key: DBOZSKOENGSGEJ-UHFFFAOYAQ;
	SMILES Cn1c(N(=O)=O)cnc1C(O)c2cc(C(C)(C)C)ccc2O;
Properties
Chemical formula	C15H19N3O4
Molar mass	305.334 g·mol−1
Density	1.303 g/mL
log P	2.815
Acidity (pKa)	9.567
Basicity (pKb)	4.430
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Abunidazole (INN) is a nitroimidazole antifungal medication.^[1] It was named in 1984^[2] but apparently never marketed.

References

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Names

IUPAC name 4-tert-Butyl-2-[hydroxy-(1-methyl-5-nitroimidazol-2-yl)methyl]phenol
Identifiers
CAS Number	91017-58-2^N
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL301926^Y
ChemSpider	148962^Y
PubChem CID	170365
UNII	6EH821150I^Y
CompTox Dashboard (EPA)	DTXSID60869074
InChI InChI=1S/C15H19N3O4/c1-15(2,3)9-5-6-11(19)10(7-9)13(20)14-16-8-12(17(14)4)18(21)22/h5-8,13,19-20H,1-4H3^Y Key: DBOZSKOENGSGEJ-UHFFFAOYSA-N^Y InChI=1/C15H19N3O4/c1-15(2,3)9-5-6-11(19)10(7-9)13(20)14-16-8-12(17(14)4)18(21)22/h5-8,13,19-20H,1-4H3 Key: DBOZSKOENGSGEJ-UHFFFAOYAQ
SMILES Cn1c(N(=O)=O)cnc1C(O)c2cc(C(C)(C)C)ccc2O
Properties
Chemical formula	C₁₅H₁₉N₃O₄
Molar mass	305.334 g·mol⁻¹
Density	1.303 g/mL
log P	2.815
Acidity (pK_a)	9.567
Basicity (pK_b)	4.430
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references