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Basic information
- CAS
62572-94-5- Standard SMILES
CC(C)NCC(O)COc1ccc(CCO)cc1- InChIKey
CUKXSBOAIJILRY-UHFFFAOYSA-N- Molecular formula
- C14H23NO3
- Average molar mass
- 253.342 g/mol
- Monoisotopic mass
- 253.1677936
Names & identifiers
- Preferred name
- O-Demethylmetoprolol
- IUPAC
- 1-[4-(2-Hydroxyethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol
- English name
- O-Desmethyl Metoprolol
- Molecular formula
- C14H23NO3
- Molecular weight
- 253.34
Names & synonyms
Metoprolol EP IMpurity HH 105/22SL 80-008SL 80-0088Metoprolol-8Betaxolol-001Betalol impurityO-demethylmetoproloMetoprolol-EP-Imp-HBetaxolol Impurity 1
Database identifiers
- CAS
62572-94-5- PubChem CID
- 162181
- DTXSID
DTXSID40978153- ChEMBL
CHEMBL3544687- UNII
- 9977TAV7FG
- EC Number
- 641-522-4
- Nikkaji
- J440.346K
Properties
Physicochemical properties
- Melting point
- 70 · 70-720C
- Boiling point
- 424.6 · 424.6±40.0 °C(Predicted)
- Density
- 1.085 · 1.085±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly, Sonicated), Methanol (Slightly)
- form
- Solid
- pka
- 13.88 · 13.88±0.20(Predicted)
- color
- White to Off-White
- Major Application
- pharmaceutical small molecule
- 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
- SMILES
- C1(CCO)=CC=C(OCC(O)CNC(C)C)C=C1
- FDA UNII
- 9977 TAV7FG · 9977TAV7FG
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Repr · Aquatic Chronic 2Repr. 2
- Toxicity
- 50 intravenous · LD50 intravenous in dog: 150mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Toxicity
- LD50 intravenous in dog: 150mg/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Aquatic Chronic 2Repr. 2
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
DescriptionO-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.
UsesO-Desmethyl Metoprolol (Metoprolol EP Impurity H) is a metabolite of Metoprolol.
Suppliers81 total
天津始加生物医药科技有限公司15022261580 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州朗欧生物科技有限公司15876533741 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
2 records
Compound notes
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