Bunitrolol

Bunitrolol
Names
	IUPAC name 2-[3-(tert-Butylamino)-2-hydroxypropoxy]benzonitrile
Identifiers
CAS Number	34915-68-9
3D model (Jmol)	Interactive image
ChEMBL	ChEMBL418134
ChemSpider	2379
PubChem	2473
	InChI InChI=1S/C14H20N2O2/c1-14(2,3)16-9-12(17)10-18-13-7-5-4-6-11(13)8-15/h4-7,12,16-17H,9-10H2,1-3H3 Key: VCVQSRCYSKKPBA-UHFFFAOYSA-N ; InChI=1/C14H20N2O2/c1-14(2,3)16-9-12(17)10-18-13-7-5-4-6-11(13)8-15/h4-7,12,16-17H,9-10H2,1-3H3 Key: VCVQSRCYSKKPBA-UHFFFAOYAU ;
	SMILES CC(C)(C)NCC(COC1=CC=CC=C1C#N)O ;
Properties
Chemical formula	C14H20N2O2
Molar mass	248.33 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
	Infobox references

Bunitrolol is a beta-adrenergic antagonist.^[1]

References[edit]

^ Haddad, S; Poulin, P; Funk, C (2010). "Extrapolating in vitro metabolic interactions to isolated perfused liver: Predictions of metabolic interactions between R-bufuralol, bunitrolol, and debrisoquine". Journal of pharmaceutical sciences. 99 (10): 4406–26. doi:10.1002/jps.22136. PMID 20310018.

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Names


IUPAC name 2-[3-(tert-Butylamino)-2-hydroxypropoxy]benzonitrile
Identifiers
CAS Number	34915-68-9
3D model (Jmol)	Interactive image
ChEMBL	ChEMBL418134
ChemSpider	2379
PubChem	2473
InChI InChI=1S/C14H20N2O2/c1-14(2,3)16-9-12(17)10-18-13-7-5-4-6-11(13)8-15/h4-7,12,16-17H,9-10H2,1-3H3 Key: VCVQSRCYSKKPBA-UHFFFAOYSA-N InChI=1/C14H20N2O2/c1-14(2,3)16-9-12(17)10-18-13-7-5-4-6-11(13)8-15/h4-7,12,16-17H,9-10H2,1-3H3 Key: VCVQSRCYSKKPBA-UHFFFAOYAU
SMILES CC(C)(C)NCC(COC1=CC=CC=C1C#N)O
Properties
Chemical formula	C₁₄H₂₀N₂O₂
Molar mass	248.33 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references