UCSF

ZINC00000257

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 Yes

Popular Name: Esmolol Esmolol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 103598-03-4 , 81147-92-4 , 81161-17-3 , 81161-17-3, 81147-92-4(free base) , 861161-17-3 , [81147-92-4] , [81161-17-3]

Other Names:

(+-)-Esmolol

(+-)-esmolol hydrochloride; (+-)-methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate hydrochloride; 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoic acid methyl ester HCl; 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoic

(+-)-esmolol; (+-)-methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate; Esmolol; Methyl 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoate; methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate

(+-)-Esmolol; ASL 8052-001; BRN 5287174; Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, methyl ester; Esmolol; LS-185019; Methyl 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoate

(+-)-methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate

(+-)-Methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate hydrochloride; 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoic acid methyl ester HCl; ASL 8052; BREVIBLOC; Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)

(R)-esmolol

olol

103598-03-4

103598-03-4; C06980; Esmolol

103598-03-4; D07916; Esmolol (INN)

4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzenepropanoic acid methyl ester hydrochloride

81147-92-4

81161-17-3 (Hydrochloride)

81161-17-3; Brevibloc (TN); D00644; Esmolol hydrochloride (JAN/USAN)

84057-94-3

AC-12058

AC1L1RWQ

AC1Q5ZXA

ASL 8052-001

ASL-8052

Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, methyl ester

Brevibloc

BRN 5287174

C06980

CHEBI:143354

CHEBI:4856

CHEMBL768

CID59768

CPD000469141; ESMOLOL HYDROCHLORIDE

CPD000469141; ESMOLOL HYDROCHLORIDE; SAM001246533

D07916

DAP000304

DB00187

Esmolol (BAN

Esmolol (hydrochloride)

Esmolol (INN)

Esmolol HCl

Esmolol Hydrochloride

Esmolol Hydrochloride (FDA

Esmolol hydrochloride, 98%+

Esmolol [INN:BAN]

HMS2090P06

INN)

INN); Esmolol HCl (FDA

L001332

LS-185019

LS-31121

methyl 3-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]propanoate

methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate

methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate

Methyl 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoate

methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate

methyl p-[2-hydroxy-3-(isopropylamino)propoxy]hydrocinnamate

MFCD00864566

MFCD00941432

MolPort-005-933-593

N/A

QA-4696

UNII-MDY902UXSR

USAN)

USAN); Esmolol (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) 2.06 -1.05 -44.37 3 5 1 72 296.387 10 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.44e-01 g/l DrugBank-approved
Target Adrenergic Receptor Selleck Chemicals
Indications antiarrhythmic KeyOrganics Bioactives
PUBCHEM_PATENT_ID EP0329464A2; EP0329464B1; EP0365662A1; EP0365662B1; EP0366765A1; EP0366765B1; EP0403578B1; EP0487520A1; EP0487520B1; EP0490891A1; EP0490891B1; EP0490916A1; EP0490916B1; EP0491778A1; EP0491778B1; EP0525475A2; EP0525475A3; EP0625903A1; EP0625903B1; EP063064 IBM Patent Data
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01475e; 1 hydrogen chloride NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01475e; SALT: 1 hydrogen chloride NIH Clinical Collection via PubChem

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Rings

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