Esmolol
Also known as (+-)-Esmolol, Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, methyl ester, Methyl 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoate
Key facts
What buyers check first
- CAS number
- 81147-92-4
- Formula
- C16H25NO4
- Molar mass
- 295.38 g/mol
- HS code
- 292250
- Category
- Cardiovascular and metabolic drugs
What is Esmolol?
Plain description, key identifiers and synonyms
Methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate is a methyl ester that is methyl 3-(4-hydroxyphenyl)propanoate in which the hydrogen attached to the phenolic hydroxy group is substituted by a 2-hydroxy-3-(isopropylamino)propyl group. It is a member of ethanolamines, a methyl ester, an aromatic ether, a secondary alcohol and a secondary amino compound. It is functionally related to a 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate
- CAS number
- 81147-92-4 CAS number cross-checkedOther or deprecated CAS: 103598-03-4
- Molecular formula
- C16H25NO4
- UNII
- MDY902UXSR
- MDL number
- MFCD00864566
- InChIKey
- AQNDDEOPVVGCPG-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
- SMILES (canonical and isomeric)
- CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O
Synonyms
- (+-)-Esmolol
- Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, methyl ester
- Methyl 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoate
- methyl 3-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)propanoate
- methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate
- esmololum
- methyl 3-(4-(2-hydroxy-3-((propan-2-yl)amino)propoxy)phenyl)propanoate
- 3-(4-(2-Hydroxy-3-isopropylamino-propoxy)-phenyl)-propionic acid methyl ester
- 3-[4-(2-Hydroxy-3-isopropylamino-propoxy)-phenyl]-propionic acid methyl ester
- Benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, methyl ester
- (+-)-methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate
- ASL 8052-001
- methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate
- Esmolol (INN)
- (+/-)-esmolol
- methyl 3-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)propanoate
- (+/-)-methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate
- methyl 3-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]propanoate
- methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate
- 3-(4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)propionic acid methyl ester
- 3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propionic Acid Methyl Ester
- Esmolol Impurity 106
- Methyl 3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propionate
- methyl 3-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]propanoate
- 3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propionic Aacid Methyl Ester
Show all 26 synonymsShow fewer synonyms
- Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, methyl ester, (+/-)-
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 295.38 g/molcalc.Computed value |
|---|---|
| Exact mass | 295.1784 Dacalc.Computed value |
| LogP (octanol/water) | 1.53calc.Computed value |
| Topological polar surface area | 67.79 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 9calc.Computed value |
| Heavy atoms | 21calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.56calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Esmolol suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- Russia, Moscow ManufacturerUnclaimed profileEsmololGrade, purity and minimum order on requestPrice on request
- Egypt, 6th of October City ManufacturerUnclaimed profileEsmololGrade, purity and minimum order on requestPrice on request
- Price on request
- China, ShanghaiUnclaimed profileEsmololGrade, purity and minimum order on requestPrice on request
- India, BengaluruUnclaimed profileEsmololGrade, purity and minimum order on requestPrice on request
- India, Medchal Malkajgiri ManufacturerUnclaimed profileEsmololGrade, purity and minimum order on requestPrice on request
- China, GuangzhouUnclaimed profileEsmololGrade, purity and minimum order on requestPrice on request
- Price on request
- United StatesUnclaimed profileEsmololGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
24 suppliers in 10 countries
- China8
- United States5
- India2
- Egypt1
- United Kingdom1
- Hong Kong1
- and 4 more countries
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Esmolol price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Use classes: Pharmaceuticals.
Industries and functions
Pharmacological actions
- Adrenergic beta-1 Receptor Antagonists
Roles
- adrenergic agent
- adrenergic antagonist
- analgesic
- anti-arrhythmia drug
- antineoplastic agent
- beta-adrenergic antagonist
- beta-adrenergic drug
- cardiovascular drug
- geroprotector
- neurotransmitter agent
- pharmaceutical
- protective agent
Pharmacology
Esmolol is a beta-Adrenergic Blocker. The mechanism of action of esmolol is as an Adrenergic beta-Antagonist.
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- Active ingredient in FDA approved drug labels
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Esmolol is traded under.
Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function
- China39.2%
- United Kingdom27.1%
- India * partner reported4.8%
- United States20.7%
- Germany7.6%
- Italy6.6%
* Partner reported figures, a lower bound.
The HS code shown for Esmolol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Esmolol, based on the data on this page
What is Esmolol?
What is the CAS number of Esmolol?
What is the molecular formula and weight of Esmolol?
What is Esmolol used for?
Is Esmolol hazardous?
What is the HS code of Esmolol?
Where can I buy Esmolol?
Where can I buy Esmolol in India?
What is the price of Esmolol?
Guides for buyers
Practical guides that help when you source, ship or handle Esmolol
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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