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Details

Stereochemistry RACEMIC
Molecular Formula C14H20N2O2
Molecular Weight 248.3208
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUNITROLOL

SMILES

CC(C)(C)NCC(O)COC1=C(C=CC=C1)C#N

InChI

InChIKey=VCVQSRCYSKKPBA-UHFFFAOYSA-N
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

HIDE SMILES / InChI

Molecular Formula C14H20N2O2
Molecular Weight 248.3208
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description

Bunitrolol is a beta-adrenergic antagonist that can be used for treatment of coronary heart disease. It improves cardiac performance after beta-blockade in patients with coronary artery disease. Bunitrolol was found to have a greater beta 1 than beta 2 adrenergic activity and a weak alpha 1 blocking action.

CNS Activity

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
42.0 nM [Ki]
3.55 nM [Ki]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
Bunitrolol 10 mg administered to patients with coronary artery disease
Route of Administration: Intravenous
In Vitro Use Guide
For assessments of pharmacological activities of bunitrolol the guinea pig trachea, left and right atria and aorta, and the rat aorta were used. Dose-response curves were obtained in the absence or presence of bunitrolol of the following concentrations: trachea, left and right atria 10(-8) M, guinea pig aorta 10(-4) M; rat aorta, 3x10(-6) M.
Substance Class Chemical
Record UNII
F2613LO055
Record Status Validated (UNII)
Record Version