UCSF

ZINC01530570

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 23 Yes

Other Names:

(+-)-1-((alpha-(2-Isopropoxyethoxy)-p-tolyl)oxy)-3-(isopropylamino)-2-propanol

(+-)-1-((alpha-(2-Isopropoxyethoxy)-p-tolyl)oxy)-3-(isopropylamino)-2-propanol fumarate (2:1) (salt); (+-)-1-(p-((2-Isopropoxyethoxy)methyl)phenoxy)-3-isopropylamino-2-propanol hemifumarate; (+/-)-1-[4-[[2-(1-methylethoxy)ethoxy)methyl]phenoxy]-3-[(1-meth

(+-)-1-((alpha-(2-Isopropoxyethoxy)-p-tolyl)oxy)-3-(isopropylamino)-2-propanol; (RS)-1-(4-(2-Isopropoxyethoxymethyl)phenoxy)-3-(isopropylamino)-2-propanol; 2-Propanol, 1-(4-((2-(1-methylethoxy)ethoxy)methyl)phenoxy)-3-((1-methylethyl)amino)-; 2-Propanol,

(+-)-1-((alpha-(2-Isopropoxyethoxy)-p-tolyl)oxy)-3-(isopropylamino)-2-propanol; (RS)-1-(4-(2-Isopropoxyethoxymethyl)phenoxy)-3-(isopropylamino)-2-propanol; Bisoprolol

(��)-Bisoprolol (hemifumarate)

(RS)-1-(4-(2-Isopropoxyethoxymethyl)phenoxy)-3-(isopropylamino)-2-propanol

(¡À)-Bisoprolol (hemifumarate)

(¡À)-Bisoprololhemifumarate

olol

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

66722-44-9; Bisoprolol (JAN/USAN/INN); D02342

66722-44-9; Bisoprolol; C06852

AB00514681

AC-18540

AC1L1DLQ

AKOS005110983

ARONIS24082

Bisocard

Bisocor

Bisoprolol (BAN

Bisoprolol (USAN/INN)

Bisoprolol Fumarate

BISOPROLOL FUMARATE AND HYDROCHLOROTHIAZIDE; BISOPROLOL FUMARATE; HYDROCHLOROTHIAZIDE; C18H31NO4.C7H8ClN3O4S2.C4H4O4; LS-178470; ZIAC

BISOPROLOL FUMARATE; CPD000471619; SAM001246618

Bisoprolol Fumarate;Bisoprolol fumerate;Bisoprolol Hemifumarate

Bisoprolol fumerate

Bisoprolol Hemifumarate

Bisoprolol hemifumarate salt

Bisoprolol hemifumarate salt, 98%

Bisoprolol [USAN:BAN:INN]

Bisoprolol, 99%+

bisoprolol; bisoprololum

Bisoprololfumarat

BISOPROLOLFUMARATE

Bisoprololum

Bisoprololum [Latin]

BPBio1_000373

BSPBio_000339

C06852

C18H31NO4

Cardicor

CHEBI:3127

CHEMBL645

CID2405

CL-297939

CL-297939; EMD-33512; EMD-33-512

Concor

Concor COR

Condyline

Condylox

Congescor

CPD000471619; BISOPROLOL FUMARATE

D02342

DAP000483

DB00612

Detensiel

Emconcor

Emcor

EMD-33-512

EMD-33512

EMD33512

Euradal

FDA

Fondril

I01-7040

INN

ISOPROPOXYETHOXYMETHYLPHENOXYISOPROPYLAMINOPROPANO

ISOPROPOXYETHOXYMETHYLPHENOXYISOPROPYLAMINOPROPANOLFUMARICACIDSAL

Isoten

JAN

L000133

LS-122509

LS-189964

Maintate

MFCD00673957

MFCD00792743

MFCD00865795

MolPort-005-937-320

Monocor

NCGC00024868-02

NCGC00024868-03

NCGC00024868-04

NCGC00024868-05

Prestwick0_000330

Prestwick1_000330

Prestwick2_000330

Prestwick3_000330

SBB065120

Soloc

Soprol

SPBio_002260

TA-4708

UNII-Y41JS2NL6U

USAN

USAN)

USAN); Bisoprolol Fumarate (FDA

USAN); Bisoprolol Fumarate (JAN

USP

USP)

Zebeta

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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 4.8 -43.51 3 5 1 65 326.457 12
Hi High (pH 8-9.5) 2.30 3.53 -8.45 2 5 0 60 325.449 12

Vendor Notes

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

Activity (Go SEA)

Clustered Target Annotations
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
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 3162.27766 0.33 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )