| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 19 | Yes |
Popular Name: Metoprolol Metoprolol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 119637-66-0 , 37350-58-6 , 392-17-7 , 456-48-4 , 51384-51-1 , 56392-17-7 , 56392-17-7, 37350-58-6 [m , 56392-17-7, 37350-58-6 [metroprolol] , 56392-18-8 , 81024-42-2 , 98418-47-4 , [37350-58-6] , [51384-51-1] , [81024-42-2] , [98418-47-4]
(RS)-Metoprolol; 1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol; Metoprolol
(S)-1-(Isopropylamino)-3-(4-(2-methoxyethyl)phenoxy)propan-2-ol
1-(Isopropylamino)-3-(4-(2-methoxyethyl)phenoxy)propan-2-ol
1-(Isopropylamino)-3-(4-(2-methoxyethyl)phenoxy)propan-2-ol 2,3-dihydroxysuccinate (2:1)
1-(Isopropylamino)-3-(4-(2-methoxyethyl)phenoxy)propan-2-ol2,3-dihydroxysuccinate(2:1)
1-(Isopropylamino)-3-(p-(2-methoxyethyl)phenoxy)-2-propanol
1-(Isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]-2-propanol
1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol; succinic acid
1-[(1-methylethyl)amino]-3-({4-[2-(methyloxy)ethyl]phenyl}oxy)propan-2-ol
1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
1-[4-(2-methoxyethyl)phenoxy]-3-propan-2-ylamino-propan-2-ol
119637-66-0; D05011; Lopressor (TN); Metoprolol fumarate (USP)
2-Propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)amino)-
2-Propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)amino)-, (+-)-
2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-, (.+/-.)-
3-[4-(2-methoxyethyl)phenoxy]-1-(propan-2-ylamino)propan-2-ol
51384-51-1; C07202; Metoprolol
51384-51-1; D02358; Metoprolol (USAN/INN)
56392-17-7; Metoprolol-(+,-) (+)-tartrate salt; Prestwick_1009
AstraZeneca Brand of Metaoprolol Tartrate
butanedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)-2-propanol
CGP-2175E; H 93/26 Succinate; H-93/26; CGP-2175C
HYDROCHLOROTHIAZIDE; LOPRESSOR HCT; LS-187974; METOPROLOL TARTRATE
Leiras Brand of Metoprolol Succinate or Metoprolol Tartrate
Metoprolol-(+,-) (+)-tartrate salt
Novartis Brand of Metprolol Tartrate
USAN); Metoprolol Fumarate (FDA
USAN); Metoprolol Tartrate (FDA
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.97 | 3.65 | -41.5 | 3 | 4 | 1 | 55 | 268.377 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.97 | 2.47 | -5.96 | 2 | 4 | 0 | 51 | 267.369 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.02e-01 g/l | DrugBank-approved |
| Purity | 97% | Fluorochem |
| Target | Adrenergic Receptor | Selleck Chemicals |
| Indications | Antihypertensive | KeyOrganics Bioactives |
| Therapy | antihypertensive, antianginal | SMDC Iconix |
| Patent Database Links | EP1479666; EP1541175; EP1602334; EP1661558; EP1669345; EP1717226; EP1741713; EP1746099; EP1785144; EP1790353; EP1832576; EP1842534; EP1862181; EP1889847; EP1894567; EP1908462; EP1946777; EP1990049; EP1990639; GB2349386; US2002082300; US2002115655; US20041 | ChEBI |
| melting_point | Solid | KeyOrganics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1-2-E | Beta-1 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 500 | 0.46 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 500 | 0.46 | Binding ≤ 10μM |
| ADRB3-2-E | Beta-3 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 500 | 0.46 | Binding ≤ 10μM |
| ADRB1-1-E | Beta-1 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 320 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 500 | 0.46 | Binding ≤ 1μM |
| ADRB2_CANFA | P54833 | Beta-2 Adrenergic Receptor, Canine | 500 | 0.46 | Binding ≤ 1μM |
| ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 500 | 0.46 | Binding ≤ 1μM |
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 500 | 0.46 | Binding ≤ 10μM |
| ADRB2_CANFA | P54833 | Beta-2 Adrenergic Receptor, Canine | 500 | 0.46 | Binding ≤ 10μM |
| ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 500 | 0.46 | Binding ≤ 10μM |
| ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 190 | 0.50 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (s) signalling events |
