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Bopindolol fumarate

CAT: 0931-T63356-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63356-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
79125-22-7
Target
Others, RAAS, 5-HT Receptor, Adrenergic Receptor
Related Pathways
Endocrinology/Hormones, GPCR/G Protein, Others, Neuroscience
Bioactivity
Bopindolol ((±) -Bopindolol) fumarate is an orally active β-adrenoceptor (ARs) antagonist with partial agonist activity, non-selective for β1- and β2-ARs, and with low affinity for the β3-AR subtype. It is a precursor to Pindolol and is used to study primary and renal vascular hypertension.
Smiles
OC(=O)\C=C\C(O)=O.Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1
Molecular Formula
C27H32N2O7
Molecular Weight
496.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bopindolol fumarate
CAS Number79125-22-7
PubChem CID13302095
IUPAC Name(E)-but-2-enedioic acid;[1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] benzoate
Molecular FormulaC27H32N2O7
Molecular Weight496.6
Topological Polar Surface Area138
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity618
SMILES
CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/C23H28N2O3.C4H4O4/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;5-3(6)1-2-4(7)8/h5-13,18,24-25H,14-15H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey
SRGXLPJWUNBTKJ-WLHGVMLRSA-N
Chemical Structure
2D Structure
2D structure of Bopindolol fumarate
CAS: 79125-22-7
CID: 13302095
Formula: C27H32N2O7
MW: 496.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass496.22095136
Monoisotopic Mass496.22095136
Topological Polar Surface Area138 Ų
Heavy Atom Count36
Formal Charge0
Complexity618
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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