Metoprolol
PubChem CID: 4171
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| Compound Synonyms | metoprolol, 51384-51-1, (RS)-Metoprolol, Beatrolol, dl-Metoprolol, 37350-58-6, Seroken, Spesicor, Metohexal, Preblok, Toprol, Meijoprolol, Metoprololum, Selo-Zok, Presolol, Loresor, Neobloc, Metrol, TOPROL-XL, 1-(Isopropylamino)-3-(4-(2-methoxyethyl)phenoxy)propan-2-ol, CGP 2175, Metoprololum [INN-Latin], CGP-2175, (+/-)-Metoprolol, Metoprolol slow release, CCRIS 4198, 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol, HSDB 6531, UNII-GEB06NHM23, GEB06NHM23, CHEBI:6904, 1-[4-(2-methoxyethyl)phenoxy]-3-propan-2-ylamino-propan-2-ol, DTXSID2023309, CHEMBL13, EINECS 257-166-4, 1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol, 2-Propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)amino)-, 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-, rac Metoprolol, DTXCID503309, Betalok, Spesikor, METOPROLOL, (+/-)-, 51384-51-1 (free base), GP-2175E, H-93/26, Lopresoretic, Metoprololum (INN-Latin), METOPROLOL (MART.), METOPROLOL [MART.], Metoprolol [USAN:INN:BAN], 1-(4-(2-methoxyethyl)phenoxy)-3-(propan-2-ylamino)propan-2-ol, {2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl}(propan-2-yl)amine, 1-(4-(2-Methoxyethyl)-phenoxy)-3-((1-methylethyl)amino)-2-propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol, (+/-)-1-(Isopropylamino)-3-(p-(beta-methoxyethyl)phenoxy)-2-propanol, 1-(4-(2-METHOXYETHYL)PHENOXY)-3-((1-METHYLETHYL)AMINO)-2-PROPANOL, 1-[(1-methylethyl)amino]-3-({4-[2-(methyloxy)ethyl]phenyl}oxy)propan-2-ol, 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-, (.+/-.)-, LOPRESSIDONE, CGP2175, Metoprolol (USAN/INN), metoprololo, MFCD00599534, Lopresol (Salt/Mix), METOPROLOL [MI], Lopresoretic (Salt/Mix), METOPROLOL [INN], (.+/-.)-Metoprolol, METOPROLOL [HSDB], METOPROLOL [USAN], METOPROLOL [VANDF], 2-Propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)amino)-, (+-)-, SCHEMBL4093, METOPROLOL [WHO-DD], GTPL553, H 93/26 (Salt/Mix), BDBM25756, C07AB02, HMS2090B15, HMS3886O04, BCA38451, BCP09038, Tox21_303972, s5430, STL301858, AKOS005927923, BG-0006, CCG-204813, CS-3159, DB00264, SDCCGSBI-0050706.P005, NCGC00021148-03, NCGC00021148-04, NCGC00021148-05, NCGC00021148-21, NCGC00356981-01, 54163-88-1, AC-19022, HY-17503, SBI-0050706.P004, CAS-51384-51-1, DB-049097, AB00053499, NS00000197, C07202, D02358, EN300-317058, AB00053499-21, AB00053499_22, AB00053499_23, L000669, Q409468, SR-01000003148-2, BRD-A03623303-045-02-0, BRD-A03623303-045-05-3, BRD-A03623303-045-09-5, BRD-A03623303-046-14-3, Z398538014, 1-(Isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]-2-propanol, 1-(Isopropylamino)-3-[p-(2-methoxyethyl)phenoxy]-2-propanol, 1-Isopropylamino-3-[4-(2-methoxy-ethyl)-phenoxy]-propan-2-ol, (2R,3R)-2,3-dihydroxysuccinic acid, 1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol, 253-483-7 |
|---|---|
| Topological Polar Surface Area | 50.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Description | Metoprolol is a selective beta1 receptor blocker used in treatment of several diseases of the cardiovascular system. It is marketed under the brand name Lopressor by Novartis, and Toprol (in the USA), Seleken or Selokeen (elsewhere), A selective adrenergic beta-1-blocking agent with no stimulatory action. It's binding to plasma albumin is weaker than alprenolol and it may be useful in the treatment of several diseases of the cardiovascular system, Metoprolol is a selective beta1 receptor blocker used in treatment of several diseases of the cardiovascular system. It is marketed under the brand name Lopressor by Novartis, and Toprol (in the USA), Seleken or Selokeen (elsewhere), as Minax by Alphapharm (in Australia), as Betaloc by AstraZeneca and as Corvitol by Berlin-Chemie AG, A selective adrenergic beta-1-blocking agent with no stimulatory action. It's binding to plasma albumin is weaker than alprenolol and it may be useful in angina pectoris, hypertension, or cardiac arrhythmias, as Minax by Alphapharm (in Australia), as Betaloc by AstraZeneca and as Corvitol by Berlin-Chemie AG. [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 215.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P08588 |
| Uniprot Id | B0FL73, Q8K4Z4, P02768, P13945, Q9NY46, P18090, P54833, P26255, P07550, P19327, P08183, P10635, Q92887, O15245, n.a., P08588, O94956, Q9NPD5, Q9Y6L6, L8I2E6, P05177, P33261, P11712, P08684, P51589, O95342, O15438, O15439, P34971 |
| Iupac Name | 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Target Id | NPT668, NPT110, NPT225, NPT226, NPT1463 |
| Xlogp | 1.9 |
| Superclass | Benzenoids |
| Subclass | Phenols and derivatives |
| Molecular Formula | C15H25NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IUBSYMUCCVWXPE-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.598 |
| Rotatable Bond Count | 9.0 |
| State | Solid |
| Logd | 1.895 |
| Synonyms | (+/-)-Metoprolol, (RS)-Metoprolol, 1-(Isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol, Beatrolol, dl-Metoprolol, Lopresor, Lopresoretic, Lopressor, Meijoprolol, Metohexal, Metoprolol, Metoprolol succinate, Metoprolol tartrate, Metoprololum, Preblok, Presolol, Seloken, Seroken, Spesicor, Toprol-XL |
| Substituent Name | Tyrosol derivative, Phenol ether, Alkyl aryl ether, Secondary alcohol, 1,2-aminoalcohol, Secondary amine, Ether, Secondary aliphatic amine, Dialkyl ether, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Amine, Alcohol, Aromatic homomonocyclic compound |
| Compound Name | Metoprolol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 267.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 267.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 267.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.321772010526315 |
| Inchi | InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 |
| Smiles | CC(C)NCC(COC1=CC=C(C=C1)CCOC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhus Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all