UCSF

ZINC49538594

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 18 Yes

Popular Name: Sotalol hydrochloride Sotalol hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 30236-32-9 , 3930-20-9 , 4549-94-4 , 959-24-0

Other Names:

( )-Sotalol hydrochloride; CPD000326828; SAM001246990

(+/-)-SOTALOL HYDROCHLORIDE

alol

.beta.-Cardone

27948-47-6

3930-20-9

3930-20-9; C07309; Sotalol

3930-20-9; D08525; Darob mite (TN); Sotalol (INN)

4'-(1-Hydroxy-2-(isopropylamino)ethyl)methane sulfonanilide

4'-(1-Hydroxy-2-(isopropylamino)ethyl)methane sulfonanilide; 4'-(1-Hydroxy-2-isopropylaminoethyl)methanesulfonanilid; C12H20N2O3S; CCRIS 4204; LS-90249; MJ-1999; Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)phenyl)-; Methanesulfonanil

4'-(1-hydroxy-2-(isopropylamino)ethyl)methane sulfonanilide; beta-cardone

4'-(1-Hydroxy-2-(isopropylamino)ethyl)methanesulfonanilide monohydrochloride; 4'-(1-Hydroxy-2-isopropylaminoethyl)methanesulphonanilide hydrochloride; 4-(2-Isopropylamino-1-hydroxyaethyl)methanesulfonailid hydrochlorid [German]; BETAPACE; BETAPACE AF; Ber

4'-(1-Hydroxy-2-isopropylaminoethyl)methanesulfonanilid

4549-94-4; D03732; Dexsotalol hydrochloride (USAN)

959-24-0 (mono-hydrochloride)

959-24-0; Betapace (TN); D01026; Sorine (TN); Sotalol hydrochloride (JAN/USP)

AB00514715

AC-19021

AC1L1JXU

beta-Cardone

Betapace

Betapace af

BMY-05763-1-D

BPBio1_001069

BRD-A33168282-003-03-2

BSPBio_000971

C07309

C12H20N2O3S

C12H20N2O3S; Dexsotalol; Dexsotalol [INN]; LS-174288; Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)phenyl)-, (S)-

CCRIS 4204

CHEBI:9206

CHEMBL471

CID5253

CPD000326828

CPD000326828; SAM001246990; Sotalol hydrochloride

d,l-Sotalol

D08525

DAP000372

Darob mite

Darob mite (TN)

DB00489

Dexsotalol (INN); Dexsotalol HCl (USAN)

Dexsotalol (INN); Dexsotalol Hydrochloride (USAN)

FDA

HMS2089K09

INN)

INN); Sotalol HCl (FDA

INN); Sotalol HCl (USP

L013427

LS-194243

LS-90249

Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)phenyl)-

Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)phenyl)- (9CI)

Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)phenyl)-, (+-)-

methanesulfonamide, N-[4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]phenyl]-

Methanesulfonanilide, 4'-(1-hydroxy-2-(isopropylamino)ethyl)-

MFCD00242936

MFCD00242937

MJ-1999

MolPort-002-042-381

N-(4-(1-Hydroxy-2-(isopropylamino)ethyl)phenyl)methanesulfonamide

N-(4-{1-hydroxy-2-[(1-methylethyl)amino]ethyl}phenyl)methanesulfonamide

N-[4-((S)-1-Hydroxy-2-isopropylamino-ethyl)-phenyl]-methanesulfonamide

N-[4-[1-hydroxy-2-(isopropylamino)ethyl]phenyl]methanesulfonamide hydrochloride

N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide

N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide hydrochloride

N-{4-[1-hydroxy-2-(isopropylamino)ethyl]phenyl}methanesulfonamide

N-{4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl}methanesulfonamide

NCGC00015919-05

NCGC00024899-02

NCGC00024899-03

Prestwick0_000966

Prestwick1_000966

Prestwick2_000966

Prestwick3_000966

SBB066409

Sorine

Sotalex

Sotalol

Sotalol (BAN

Sotalol (Betapace)

Sotalol (hydrochloride)

Sotalol (INN)

Sotalol HCL

Sotalol Hydrochloride (FDA

Sotalol Monohydrochloride

Sotalol [INN:BAN]

sotalol(1+)

Sotalol, HCl

sotalol; sotalolum

Sotalolum

Sotalolum [INN-Latin]

SPBio_002892

UNII-A6D97U294I

USAN

USAN)

USP)

USP); Sotalol (BAN

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) 0.82 0.22 -59.92 3 5 0 85 272.37 6 ↓
Hi High (pH 8-9.5) 0.82 -1.07 -41.57 2 5 -1 80 271.362 6 ↓
Lo Low (pH 4.5-6) 0.82 0.05 -49.18 4 5 1 83 273.378 6 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 7.82e-01 g/l DrugBank-approved
Purity 95% Fluorochem
Target Adrenergic Receptor Selleck Chemicals
biological_use Antiarrhythmic agent ZereneX Building Blocks
Therapy beta-adrenergic agonist SMDC Pharmakon
mechanism Beta-Adrenergic blocker IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 101403; 1 hydrogen chloride NIH Clinical Collection via PubChem
mechanism Potassium channel (K VR ) blocker IBScreen Bioactives ZereneX Building Blocks
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 101403; SALT: 1 hydrogen chloride NIH Clinical Collection via PubChem
PUBCHEM_PATENT_ID US4624932; WO2000043012A1; WO2000069412A1; WO2000075324A2 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADRB1-1-E Beta-1 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 9000 0.39 Binding ≤ 10μM
ADRB2-1-E Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 7200 0.40 Binding ≤ 10μM
ADRB3-1-E Beta-3 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 7200 0.40 Binding ≤ 10μM
Z81047-1-O Human T-cell Line (cluster #1 Of 2), Other Other 1000 0.47 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADRB1_HUMAN P08588 Beta-1 Adrenergic Receptor, Human 7200 0.40 Binding ≤ 10μM
ADRB2_HUMAN P07550 Beta-2 Adrenergic Receptor, Human 7200 0.40 Binding ≤ 10μM
ADRB3_HUMAN P13945 Beta-3 Adrenergic Receptor, Human 7200 0.40 Binding ≤ 10μM
Z81047 Z81047 Human T-cell Line 1000 0.47 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adrenoceptors
G alpha (s) signalling events

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

No pre-computed analogs available. Try a structural similarity search.