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O-Desmethyl Metoprolol

CAT: 0572-TRC-D292073-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D292073-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
62572-94-5
Synonyms
Betaxolol Hydrochloride Imp. B (EP); Betaxolol Imp. B (EP); Metoprolol Succinate Imp. H (EP); Metoprolol Tartrate Imp. H (EP); Metoprolol Imp. H (EP); (2RS)-1-[4-(2-Hydroxyethyl)phenoxy]-3-[(1-methylethyl)amino]propan-2-ol; Betaxolol Hydrochloride Impurity B; Metoprolol Succinate Impurity H; Metoprolol Tartrate Impurity H; Betaxolol Impurity B; Metoprolol Impurity H
Hazard Statement
Suspected of damaging fertility or the unborn child
Smiles
CC(C)NCC(O)COc1ccc(CCO)cc1
Molecular Formula
C14 H23 N O3
Molecular Weight
253.34
InChI
InChI=1S/C14H23NO3/c1-11(2)15-9-13(17)10-18-14-5-3-12(4-6-14)7-8-16/h3-6,11,13,15-17H,7-10H2,1-2H3
Additionnal Information
IUPAC name: 1-[4-(2-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

O-Demethylmetoprolol

pharmacologically active urinary metoprolol metabolite 5 to 10X less potent than metoprolol; structure in first source; RN given refers to cpd without isomeric designation

CAS Number62572-94-5
PubChem CID162181
IUPAC Name1-[4-(2-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular FormulaC14H23NO3
Molecular Weight253.34
XLogP1.3
Topological Polar Surface Area61.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count18
Formal Charge0
Complexity203
SMILES
CC(C)NCC(COC1=CC=C(C=C1)CCO)O
InChI
InChI=1S/C14H23NO3/c1-11(2)15-9-13(17)10-18-14-5-3-12(4-6-14)7-8-16/h3-6,11,13,15-17H,7-10H2,1-2H3
InChIKey
CUKXSBOAIJILRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O-Demethylmetoprolol
CAS: 62572-94-5
CID: 162181
Formula: C14H23NO3
MW: 253.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.34
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass253.16779360
Monoisotopic Mass253.16779360
Topological Polar Surface Area61.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity203
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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