Eletriptan
Also known as eletriptanum, UK 116044, UK-116,044
Key facts
What buyers check first
- CAS number
- 143322-58-1
- Formula
- C22H26N2O2S
- Molar mass
- 382.53 g/mol
- EC number
- 640-088-3
- HS code
- 293399
- Category
- Analgesics and anti-inflammatories
What is Eletriptan?
Plain description, key identifiers and synonyms
Eletriptan is an N-alkylpyrrolidine, that is N-methylpyrrolidine in which the pro-R hydrogen at position 2 is replaced by a {5-[2-(phenylsulfonyl)ethyl]-1H-indol-3-yl}methyl group. It has a role as a non-steroidal anti-inflammatory drug, a serotonergic agonist and a vasoconstrictor agent. It is a member of indoles, a sulfone and a N-alkylpyrrolidine. It is a conjugate base of an eletriptan(1+).
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
- CAS number
- 143322-58-1 CAS number cross-checked
- EC number
- 640-088-3
- Molecular formula
- C22H26N2O2S
- UNII
- 22QOO9B8KI
- MDL number
- MFCD00943792
- InChIKey
- PWVXXGRKLHYWKM-LJQANCHMSA-N
- InChI
- InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1
- Canonical SMILES
- CN1CCCC1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12
- Isomeric SMILES
- CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4
Synonyms
- eletriptanum
- UK 116044
- UK-116,044
- 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
- UK-116044-04 FREE BASE
- UK-116,044-04 FREE BASE
- 5-[2-(benzenesulfonyl)ethyl]-3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-1H-indole
- (R)-3-((1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole
- 3-(((2R)-1-methylpyrrolidin-2-yl)methyl)-5-(2-phenylsulfonylethyl)-1H-indole
- 3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(2-phenylsulfonylethyl)-1H-indole
- 5-(2-(benzenesulfonyl)ethyl)-3-(((2R)-1-methylpyrrolidin-2-yl)methyl)-1H-indole
- UK 166044
- UK-166,044
- Eletriptan (INN)
- (R)-3-((1-methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole
- (R)-5-[2-(Benzenesulfonyl)ethyl]-3-[(N-methylpyrrolidin-2-yl)methyl]-1H-indole
- 3-(((R)-1-Methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)indole
- 1H-Indole, 3-(((2R)-1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)ethyl)-
- 3-[[(2r)-1-methyl-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethyl]-1h-indole
- Eletriptan, Free Base
- 3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indole
- UK-116044-04 [As Hydrobromide)
- UK-116,044-04 [as hydrobromide]
- (R)-5-(2-Phenylsulfonylethyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole
- 3-(N-methyl-2(R)-pyrrolidinylmethyl)-5-(2-phenylsulphonylethyl)-1H-indole
Show all 27 synonymsShow fewer synonyms
- (R)-5-(2-benzenesulphonylethyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole
- 3-{[1-methylpyrrolidin-2(R)-yl]methyl}-5-(2-phenylsulphonylethyl)-1H-indole
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 | 382.53 g/molcalc.Computed value |
|---|---|
| Exact mass | 382.1715 Dacalc.Computed value |
| LogP (octanol/water) | 3.82calc.Computed value |
| Topological polar surface area | 53.17 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 6calc.Computed value |
| Heavy atoms | 27calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.36calc.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
O=S(=O)(CCc1ccc2[nH]cc(CC3CCCN3)c2c1)c1ccccc1
4 rings, 26 atoms.
16 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H302Harmful if swallowed.
- H318Causes serious eye damage.
- H412Harmful to aquatic life with long lasting effects.
Precautionary statements (10)
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P270Do not eat, drink or smoke when using this product.
- P273Avoid release to the environment.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P317If swallowed: Get medical help.
- P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P317Get medical help.
- P330Rinse mouth.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidEletriptan suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- United StatesUnclaimed profileEletriptanGrade, purity and minimum order on requestPrice on request
- India, Bidar ManufacturerUnclaimed profileEletriptanGrade, purity and minimum order on requestPrice on request
- Price on request
- United States, Santa ClaraUnclaimed profileEletriptanGrade, purity and minimum order on requestPrice on request
- China, GuangzhouUnclaimed profileEletriptanGrade, purity and minimum order on requestPrice on request
- Poland, Warszawa ManufacturerUnclaimed profileEletriptanGrade, purity and minimum order on requestPrice on request
- Pakistan ManufacturerUnclaimed profileEletriptanGrade, purity and minimum order on requestPrice on request
- Price on request
- United States, Monmouth JunctionUnclaimed profileEletriptanGrade, purity and minimum order on requestPrice on request
- United States, Redwood CityUnclaimed profileEletriptanGrade, 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
31 suppliers in 9 countries
- United States13
- China11
- Canada1
- Germany1
- India1
- Netherlands1
- and 3 more countries
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Eletriptan price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Use classes: Pharmaceuticals.
Industries and functions
Pharmacological actions
- Serotonin Receptor Agonists
Roles
- anti-inflammatory agent
- anti-inflammatory drug
- antirheumatic drug
- cardiovascular drug
- neurotransmitter agent
- non-steroidal anti-inflammatory drug
- pharmaceutical
- serotonergic agonist
- serotonergic drug
- vasoconstrictor agent
Pharmacology
Eletriptan is a Serotonin-1b and Serotonin-1d Receptor Agonist. The mechanism of action of eletriptan is as a Serotonin 1b Receptor Agonist and Serotonin 1d Receptor Agonist.
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 Eletriptan is traded under.
Heterocyclic compounds with nitrogen hetero-atom(s) only, other
- Slovenia31.7%
- Italy24.2%
- United States5.0%
* Partner reported figures, a lower bound.
The HS code shown for Eletriptan is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Eletriptan, based on the data on this page
What is Eletriptan?
What is the CAS number of Eletriptan?
What is the molecular formula and weight of Eletriptan?
What is Eletriptan used for?
Is Eletriptan hazardous?
What is the HS code of Eletriptan?
Where can I buy Eletriptan?
Where can I buy Eletriptan in India?
What is the price of Eletriptan?
Guides for buyers
Practical guides that help when you source, ship or handle Eletriptan
- 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
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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