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Screening compounds

N-Desmethyl eletriptan

Also known as UK-135,800, 1H-Indole, 5-(2-(phenylsulfonyl)ethyl)-3-(2-pyrrolidinylmethyl)-, (R)-, DETT cpd

CAS 153525-55-4Formula C21H24N2O2SMolar mass 368.50 g/mol
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N-Desmethyl eletriptan chemical structure, C21H24N2O2S, CAS 153525-55-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
153525-55-4
Formula
C21H24N2O2S
Molar mass
368.50 g/mol
HS code
293399
Category
Screening compounds

What is N-Desmethyl eletriptan?

Plain description, key identifiers and synonyms

N-Desmethyleletriptan is a member of indoles.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CAS number
153525-55-4
Molecular formula
C21H24N2O2S
UNII
6MOZ326Q5L
InChIKey
HHTDENYTSCXDFO-GOSISDBHSA-N
InChI
InChI=1S/C21H24N2O2S/c24-26(25,19-6-2-1-3-7-19)12-10-16-8-9-21-20(13-16)17(15-23-21)14-18-5-4-11-22-18/h1-3,6-9,13,15,18,22-23H,4-5,10-12,14H2/t18-/m1/s1
Canonical SMILES
O=S(=O)(CCc1ccc2[nH]cc(CC3CCCN3)c2c1)c1ccccc1
Isomeric SMILES
C1C[C@@H](NC1)CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4

Synonyms

  • UK-135,800
  • 1H-Indole, 5-(2-(phenylsulfonyl)ethyl)-3-(2-pyrrolidinylmethyl)-, (R)-
  • DETT cpd
  • N-Desmethyleletriptan
  • 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
  • 5-[2-(benzenesulfonyl)ethyl]-3-[(2R)-pyrrolidin-2-ylmethyl]-1H-indole
  • 5-[2-(benzenesulonyl)ethyl]-3-[[(2R)-pyrrolidin-2-yl]methyl]-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
368.50 g/molcalc.
Exact mass
368.1558 Dacalc.
LogP (octanol/water)
3.48calc.
Topological polar surface area
61.96 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
6calc.
Heavy atoms
26calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
1calc.
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.

N-Desmethyl eletriptan suppliers

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N-Desmethyl eletriptan price

Indicative price range per kg from live supplier offers

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Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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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 N-Desmethyl eletriptan 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 N-Desmethyl eletriptan is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about N-Desmethyl eletriptan, based on the data on this page

What is N-Desmethyl eletriptan?

N-Desmethyleletriptan is a member of indoles.

What is the CAS number of N-Desmethyl eletriptan?

The CAS registry number of N-Desmethyl eletriptan is 153525-55-4.

What is the molecular formula and weight of N-Desmethyl eletriptan?

The molecular formula of N-Desmethyl eletriptan is C21H24N2O2S and its molar mass is 368.50 g/mol.

What is N-Desmethyl eletriptan used for?

Known uses and roles of N-Desmethyl eletriptan include building blocks in research and laboratory and screening compounds in research and laboratory.

Is N-Desmethyl eletriptan hazardous?

No GHS hazard classification for N-Desmethyl eletriptan 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 N-Desmethyl eletriptan?

N-Desmethyl eletriptan 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 N-Desmethyl eletriptan?

Post a free request on CompoundList and suppliers of N-Desmethyl eletriptan will send you quotes. Your contact details stay private until you accept a quote.

What is the price of N-Desmethyl eletriptan?

Suppliers quote N-Desmethyl eletriptan on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle N-Desmethyl eletriptan

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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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