| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 23 | Yes |
Popular Name: Bisoprolol Bisoprolol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 104344-23-2 , 66722-44-9 , 66722-45-0 , [104344-23-2] , [66722-44-9]
(+-)-1-((alpha-(2-Isopropoxyethoxy)-p-tolyl)oxy)-3-(isopropylamino)-2-propanol
(��)-Bisoprolol (hemifumarate)
(RS)-1-(4-(2-Isopropoxyethoxymethyl)phenoxy)-3-(isopropylamino)-2-propanol
(¡À)-Bisoprolol (hemifumarate)
1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol
1-[(1-methylethyl)amino]-3-({4-[({2-[(1-methylethyl)oxy]ethyl}oxy)methyl]phenyl}oxy)propan-2-ol
1-{4-[(2-Isopropoxyethoxy)methyl]phenoxy}-3-(isopropylamino)-2-propanol
1-{4-[(2-Isopropoxyethoxy)methyl]phenoxy}-3-(isopropylamino)-2-propanol fumaric acid salt
1-{4-[(2-isopropoxyethoxy)methyl]phenoxy}-3-(isopropylamino)propan-2-ol
2-Propanol, 1-(4-((2-(1-methylethoxy)ethoxy)methyl)phenoxy)-3-((1-methylethyl)amino)-
2-Propanol, 1-(4-((2-(1-methylethoxy)ethoxy)methyl)phenoxy)-3-((1-methylethyl)amino)-, (+-)-
2-Propanol, 1-[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]-3-[(1-methylethyl)amino]-, (.+/-.)-
66722-44-9; Bisoprolol (JAN/USAN/INN); D02342
66722-44-9; Bisoprolol; C06852
BISOPROLOL FUMARATE; CPD000471619; SAM001246618
Bisoprolol Fumarate;Bisoprolol fumerate;Bisoprolol Hemifumarate
Bisoprolol hemifumarate salt, 98%
CL-297939; EMD-33512; EMD-33-512
CPD000471619; BISOPROLOL FUMARATE
ISOPROPOXYETHOXYMETHYLPHENOXYISOPROPYLAMINOPROPANO
ISOPROPOXYETHOXYMETHYLPHENOXYISOPROPYLAMINOPROPANOLFUMARICACIDSAL
USAN); Bisoprolol Fumarate (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) | 2.30 | 4.82 | -43.49 | 3 | 5 | 1 | 65 | 326.457 | 12 | ↓ |
| Hi High (pH 8-9.5) | 2.30 | 3.64 | -8.33 | 2 | 5 | 0 | 60 | 325.449 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 100-103° | Matrix Scientific |
| ALOGPS_SOLUBILITY | 7.07e-02 g/l | DrugBank-approved |
| Purity | >95% | Matrix Scientific |
| Target | Adrenergic Receptor | Selleck Chemicals |
| Indications | antiarrhythmic, antihypertensive | KeyOrganics Bioactives |
| Therapy | beta-blocker, antihypertensive | SMDC Pharmakon |
| Patent Database Links | EP1541175; EP1602334; EP1652508; EP1746099; EP1785144; EP1832576; EP1847264; EP1889847; EP1932523; EP1961415; EP1961417; GB2349386; US2002082300; US2002115655; US2004147575; US2005065209; US2007190023; US2007191371; US2007191438; US2007203155; US200723867 | ChEBI |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP020366b; .5 fumaric acid | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP020366b; SALT: .5 fumaric acid | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 3162 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 3162.27766 | 0.33 | Functional ≤ 10μM |
