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Bopindolol malonate 500mg

CAT: 0628-A13398-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A13398-500Size:500 mg
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CAS Number
62658-64-4

Chemical Information

Bopindolol Malonate

Bopindolol malonate is a benzoate ester.

CAS Number62658-64-4
PubChem CID636368
IUPAC Name[1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] benzoate;propanedioic acid
Molecular FormulaC26H32N2O7
Molecular Weight484.5
Topological Polar Surface Area138
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count35
Formal Charge0
Complexity582
SMILES
CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3.C(C(=O)O)C(=O)O
InChI
InChI=1S/C23H28N2O3.C3H4O4/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;4-2(5)1-3(6)7/h5-13,18,24-25H,14-15H2,1-4H3;1H2,(H,4,5)(H,6,7)
InChIKey
LDOONRJGLKHGJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bopindolol Malonate
CAS: 62658-64-4
CID: 636368
Formula: C26H32N2O7
MW: 484.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass484.22095136
Monoisotopic Mass484.22095136
Topological Polar Surface Area138 Ų
Heavy Atom Count35
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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