O-Demethylmetoprolol

Base Information

Chemical Name:O-Demethylmetoprolol
CAS No.:62572-94-5
Molecular Formula:C₁₄H₂₃NO₃
Molecular Weight:253.342
Hs Code.:
European Community (EC) Number:641-522-4
UNII:9977TAV7FG
DSSTox Substance ID:DTXSID40978153
Nikkaji Number:J440.346K
Wikidata:Q27272183
ChEMBL ID:CHEMBL3544687
Mol file:62572-94-5.mol

Synonyms:H 105-22;H105-22;H105-22, (+-)-isomer;O-demethylmetoprolol

Suppliers and Price of O-Demethylmetoprolol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
O-Desmethyl Metoprolol
5mg
$ 425.00

TRC
O-DesmethylMetoprolol
50mg
$ 1155.00

Cayman Chemical
O-Desmethyl Metoprolol ≥95%
5mg
$ 191.00

Cayman Chemical
O-Desmethyl Metoprolol ≥95%
10mg
$ 338.00

Cayman Chemical
O-Desmethyl Metoprolol ≥95%
1mg
$ 43.00

Biosynth Carbosynth
O-Desmethyl metoprolol
50 mg
$ 1365.00

Biosynth Carbosynth
O-Desmethyl metoprolol
5 mg
$ 227.20

Biosynth Carbosynth
O-Desmethyl metoprolol
10 mg
$ 413.00

Biosynth Carbosynth
O-Desmethyl metoprolol
25 mg
$ 751.00

American Custom Chemicals Corporation
METOPROLOL EP IMPURITY H 95.00%
5MG
$ 456.92

Total 17 raw suppliers

Chemical Property of O-Demethylmetoprolol

Chemical Property:

Vapor Pressure:5.73E-08mmHg at 25°C
Melting Point:70-72oC
Boiling Point:424.6°C at 760 mmHg
PKA:13.88±0.20(Predicted)
Flash Point:210.6°C
PSA：61.72000
Density:1.085g/cm³
LogP:1.35000
Storage Temp.:-20°C Freezer
Solubility.:Chloroform (Slightly, Sonicated), Methanol (Slightly)
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:253.16779360
Heavy Atom Count:18
Complexity:203

Purity/Quality:

99%, ^*data from raw suppliers

O-Desmethyl Metoprolol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)NCC(COC1=CC=C(C=C1)CCO)O
Description O-Desmethyl metoprolol is the major active metabolite of the β1-adrenergic receptor blocker metoprolol . It is formed by metabolism of metoprolol by the cytochrome P450 (CYP) isoform CYP2D6 in vivo.
Uses A metabolite of Metoprolol O-Desmethyl Metoprolol (Metoprolol EP Impurity H) is a metabolite of Metoprolol.

Technology Process of O-Demethylmetoprolol

There total 14 articles about O-Demethylmetoprolol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

: 1312687-84-5
C₁₈H₂₇NO₅

: 131564-69-7,62572-94-5
(-)-O-Demethylmetoprolol

Guidance literature:: With sodium hydroxide; In methanol; at 20 ℃;
DOI:10.1080/00397911.2010.505699

Reference yield: 61.0%

: 29122-68-7
(RS)-atenolol

: 62572-94-5
(+/-)-O-Demethylmetoprolol

Guidance literature:: With samarium diiodide; water; triethylamine; In tetrahydrofuran; at 23 ℃; for 18h; chemoselective reaction; Inert atmosphere;
DOI:10.1021/ja412578t

Reference yield:

: 51384-51-1,37350-58-6
(RS)-metoprolol

: 56392-16-6
alpha-Hydroxymetoprolol

: 62572-94-5
(+/-)-O-Demethylmetoprolol

Guidance literature:: With CYP₂D_6.1; NADPH; In phosphate buffer; pH=7.4; Further Variations:; Reagents; Enzyme kinetics;
DOI:10.1016/S0006-2952(02)01351-5