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Demethyldeacetylmoxisylyte

CAT: 0013-GTR19223556-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223556-01Size:100 mg
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Description
Demethyldeacetylmoxisylyte is a metabolite of the α1-adrenergic receptor antagonist moxisylyte. It is used in pharmacological research to study drug metabolism and the pharmacokinetic profile of moxisylyte in both in vitro and in vivo experimental models.
CAS Number
72732-50-4
Smiles
OC1=CC (=C (OCCNC) C=C1C) C (C) C
Molecular Formula
C13H21NO2
Molecular Weight
223.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Methyl-4-(2-(methylamino)ethoxy)-5-(1-methylethyl)phenol
CAS Number72732-50-4
PubChem CID51678
IUPAC Name2-methyl-4-[2-(methylamino)ethoxy]-5-propan-2-ylphenol
Molecular FormulaC13H21NO2
Molecular Weight223.31
XLogP2.3
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity196
SMILES
CC1=CC(=C(C=C1O)C(C)C)OCCNC
InChI
InChI=1S/C13H21NO2/c1-9(2)11-8-12(15)10(3)7-13(11)16-6-5-14-4/h7-9,14-15H,5-6H2,1-4H3
InChIKey
GOHVWKGLNUZCRK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-4-(2-(methylamino)ethoxy)-5-(1-methylethyl)phenol
CAS: 72732-50-4
CID: 51678
Formula: C13H21NO2
MW: 223.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.31
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass223.157228913
Monoisotopic Mass223.157228913
Topological Polar Surface Area41.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity196
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T31376-01Demethyldeacetylmoxisylyte

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