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Screening compounds

Eletriptan hydrobromide monohydrate

Also known as 1H-Indole, 3-(((2R)-1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)-, hydrobromide, hydrate (1:1:1), 1H-Indole, 3-(((2R)-1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)-, monohydrobromide, monohydrate, 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole, hydrate, hydrobromide

CAS 273211-28-2Formula C22H29BrN2O3SMolar mass 481.46 g/mol
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Eletriptan hydrobromide monohydrate chemical structure, C22H29BrN2O3S, CAS 273211-28-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
273211-28-2
Formula
C22H29BrN2O3S
Molar mass
481.46 g/mol
HS code
293399
Category
Screening compounds

What is Eletriptan hydrobromide monohydrate?

Plain description, key identifiers and synonyms

Eletriptan hydrobromide monohydrate is a chemical substance with the molecular formula C22H29BrN2O3S and a molar mass of 481.46 g/mol. Its CAS registry number is 273211-28-2. The IUPAC name is 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole, hydrate, hydrobromide.

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, hydrate, hydrobromide
CAS number
273211-28-2
Molecular formula
C22H29BrN2O3S
UNII
4139X692FA
InChIKey
BORDVONYOHPTGR-JQDLGSOUSA-N
InChI
InChI=1S/C22H26N2O2S.BrH.H2O/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;1H;1H2/t19-;;/m1../s1
Canonical SMILES
Br.CN1CCCC1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12.O
Isomeric SMILES
CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4.O.Br

Synonyms

  • 1H-Indole, 3-(((2R)-1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)-, hydrobromide, hydrate (1:1:1)
  • 1H-Indole, 3-(((2R)-1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)-, monohydrobromide, monohydrate
  • 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole, hydrate, hydrobromide
  • Eletriptan Hydrobromide Monohydrate - API Standards

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
481.46 g/molcalc.
Exact mass
480.1082 Dacalc.
LogP (octanol/water)
3.57calc.
Topological polar surface area
84.67 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
6calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
1calc.
Components
3calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=S(=O)(CCc1ccc2[nH]cc(CC3CCCN3)c2c1)c1ccccc1

O=S(=O)(CCc1ccc2[nH]cc(CC3CCCN3)c2c1)c1ccccc1

4 rings, 26 atoms.

16 other chemicals share this scaffold

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.

Eletriptan hydrobromide monohydrate suppliers

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Eletriptan hydrobromide monohydrate 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

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Eletriptan hydrobromide monohydrate is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Eletriptan hydrobromide monohydrate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Eletriptan hydrobromide monohydrate, based on the data on this page

What is Eletriptan hydrobromide monohydrate?

Eletriptan hydrobromide monohydrate is a chemical substance with the molecular formula C22H29BrN2O3S and a molar mass of 481.46 g/mol. Its CAS registry number is 273211-28-2. The IUPAC name is 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole, hydrate, hydrobromide.

What is the CAS number of Eletriptan hydrobromide monohydrate?

The CAS registry number of Eletriptan hydrobromide monohydrate is 273211-28-2.

What is the molecular formula and weight of Eletriptan hydrobromide monohydrate?

The molecular formula of Eletriptan hydrobromide monohydrate is C22H29BrN2O3S and its molar mass is 481.46 g/mol.

What is Eletriptan hydrobromide monohydrate used for?

Known uses and roles of Eletriptan hydrobromide monohydrate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Eletriptan hydrobromide monohydrate hazardous?

No GHS hazard classification for Eletriptan hydrobromide monohydrate is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Eletriptan hydrobromide monohydrate?

Eletriptan hydrobromide monohydrate is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Eletriptan hydrobromide monohydrate?

CompoundList lists 1 supplier of Eletriptan hydrobromide monohydrate in India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Eletriptan hydrobromide monohydrate in India?

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What is the price of Eletriptan hydrobromide monohydrate?

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Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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