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Bopindolol

CAT: 0013-GTR19183587-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183587-03Size:100 mg
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Description
Bopindolol is a non-selective β-adrenoceptor antagonist with partial agonist activity, metabolized to its active form pindolol. It is used in research models of essential and renovascular hypertension, applicable in both in vivo and in vitro studies of cardiovascular pharmacology.
CAS Number
62658-63-3
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
O (CC (OC (=O) C1=CC=CC=C1) CNC (C) (C) C) C2=C3C (NC (C) =C3) =CC=C2
Molecular Formula
C23H28N2O3
Molecular Weight
380.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bopindolol

1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate is a methylindole that is 2-methyl-1H-indol-4-ol in which the hydrogen of the hydroxy group is replaced by a 2-(benzoyloxy)-3-(tert-butylamino)propyl group. It is an aromatic ether, a benzoate ester, a methylindole and a secondary amino compound.

CAS Number62658-63-3
PubChem CID44112
IUPAC Name[1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] benzoate
Molecular FormulaC23H28N2O3
Molecular Weight380.5
XLogP4.7
Topological Polar Surface Area63.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity499
SMILES
CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3
InChIKey
UUOJIACWOAYWEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bopindolol
CAS: 62658-63-3
CID: 44112
Formula: C23H28N2O3
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass380.20999276
Monoisotopic Mass380.20999276
Topological Polar Surface Area63.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FB37307-01Bopindolol
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sc-503926Rac Bopindolol
T63356-01Bopindolol fumarate
HY-W742404-01Bopindolol-d9
HY-B1562CBopindolol (fumarate)
TRC-B675402-10MGrac Bopindolol-d9
A13398-1000Bopindolol malonate 1000mg
A13398-500Bopindolol malonate 500mg

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