Bucindolol

CAT: 0926-WCA11911-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-WCA11911-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

71119-11-4

MDL Number

MFCD00865898

Smiles

CC (C) (CC1=CNC2=CC=CC=C21) NCC (COC3=CC=CC=C3C#N) O

Molecular Formula

C22H25N3O2

Molecular Weight

363.46 g/mol

Controlled

Chemical Information

Bucindolol

Bucindolol has been investigated in Heart Failure.

CAS Number	71119-11-4
PubChem CID	51045
IUPAC Name	2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile
Molecular Formula	C22H25N3O2
Molecular Weight	363.5
XLogP	3.3
Topological Polar Surface Area	81.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	27
Formal Charge	0
Complexity	515

SMILES

CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O

InChI

InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3

InChIKey

FBMYKMYQHCBIGU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 71119-11-4

CID: 51045

Formula: C22H25N3O2

MW: 363.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	363.5
XLogP3	3.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	363.19467705
Monoisotopic Mass	363.19467705
Topological Polar Surface Area	81.1 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	515
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes