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Xibenolol hydrochloride

CAT: 0013-GTR19274064-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274064-01Size:10 mg
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Description
Xibenolol hydrochloride (D32 hydrochloride) is an orally active beta-adrenoceptor blocker. It is used in research related to tachycardia and hypotension.
CAS Number
15263-30-6
Smiles
Cl.OC (COC1=CC=CC (=C1C) C) CNC (C) (C) C
Molecular Formula
C15H26ClNO2
Molecular Weight
287.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Xibenolol hydrochloride
CAS Number15263-30-6
PubChem CID146255
IUPAC Name1-(tert-butylamino)-3-(2,3-dimethylphenoxy)propan-2-ol;hydrochloride
Molecular FormulaC15H26ClNO2
Molecular Weight287.82
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity237
SMILES
CC1=C(C(=CC=C1)OCC(CNC(C)(C)C)O)C.Cl
InChI
InChI=1S/C15H25NO2.ClH/c1-11-7-6-8-14(12(11)2)18-10-13(17)9-16-15(3,4)5;/h6-8,13,16-17H,9-10H2,1-5H3;1H
InChIKey
ZNEAHTMGASMSKT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Xibenolol hydrochloride
CAS: 15263-30-6
CID: 146255
Formula: C15H26ClNO2
MW: 287.82
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.82
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass287.1652068
Monoisotopic Mass287.1652068
Topological Polar Surface Area41.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity237
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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