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Isotope-labelled compounds

LU 49888

Also known as Azidopamil, Ludopamil, 5-((3-Azidophenethyl)methylamino)-2-(3,4,5-trimethoxyphenyl)-2-isopropylvaleronitrile

CAS 109293-21-2Formula C26H36ClN5O3Molar mass 508.08 g/mol
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LU 49888 chemical structure, C26H36ClN5O3, CAS 109293-21-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
109293-21-2
Formula
C26H36ClN5O3
Molar mass
508.08 g/mol
HS code
284441
Category
Isotope-labelled compounds

What is LU 49888?

Plain description, key identifiers and synonyms

LU 49888 is a chemical substance with the molecular formula C26H36ClN5O3 and a molar mass of 508.08 g/mol. Its CAS registry number is 109293-21-2. The IUPAC name is 5-[2-(3-azidophenyl)ethyl-(tritritiomethyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile, hydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[2-(3-azidophenyl)ethyl-(tritritiomethyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile, hydrochloride
CAS number
109293-21-2 CAS number cross-checked
Molecular formula
C26H36ClN5O3
InChIKey
ZUNFHPIYIPQTIE-RTMIPMGSSA-N
InChI
InChI=1S/C26H35N5O3.ClH/c1-19(2)26(18-27,21-16-23(32-4)25(34-6)24(17-21)33-5)12-8-13-31(3)14-11-20-9-7-10-22(15-20)29-30-28;/h7,9-10,15-17,19H,8,11-14H2,1-6H3;1H/i3T3;
Canonical SMILES
COc1cc(C(C#N)(CCCN(C)CCc2cccc(N=[N+]=[N-])c2)C(C)C)cc(OC)c1OC.Cl
Isomeric SMILES
[3H]C([3H])([3H])N(CCCC(C#N)(C1=CC(=C(C(=C1)OC)OC)OC)C(C)C)CCC2=CC(=CC=C2)N=[N+]=[N-].Cl

Synonyms

  • Azidopamil
  • Ludopamil
  • 5-((3-Azidophenethyl)methylamino)-2-(3,4,5-trimethoxyphenyl)-2-isopropylvaleronitrile
  • (N-Methyl-(3)H)LU49888
  • LU 47781
  • 5-[2-(3-azidophenyl)ethyl-(tritritiomethyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile, hydrochloride
  • 5-{[2-(3-Azidophenyl)ethyl][(~3~H_3_)methyl]amino}-2-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)pentanenitrile--hydrogen chloride (1/1)
  • Benzeneacetonitrile, alpha-(3-((2-(3-azidophenyl)ethyl)methyl-t3-amino)propyl)-3,4,5-trimethoxy-alpha-(1-methylethyl)-, monohydrochloride, (-)-

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
508.08 g/molcalc.
Exact mass
507.2753 Dacalc.
LogP (octanol/water)
6.45calc.
Topological polar surface area
103.5 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
13calc.
Heavy atoms
35calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
1calc.
Components
2calc.
Lipinski rule of five
Fails (2 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, c1ccc(CCCCNCCc2ccccc2)cc1

c1ccc(CCCCNCCc2ccccc2)cc1

2 rings, 19 atoms.

93 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.

LU 49888 suppliers

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LU 49888 price

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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 LU 49888 is traded under.

HS 2844.41Indicative HS code

Tritium and its compounds, alloys, dispersions (including cermets), ceramic products and…

World exports in 2024
$74.1M
−19.2% vs 2023, imports $68.2M
2022 to 2024
Top exporters
  1. Germany45.3%
  2. Netherlands16.0%
  3. France * partner reported13.4%
Top importers
  1. Spain18.2%
  2. Netherlands17.9%
  3. South Korea7.9%

* Partner reported figures, a lower bound.

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

The HS code shown for LU 49888 is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about LU 49888, based on the data on this page

What is LU 49888?

LU 49888 is a chemical substance with the molecular formula C26H36ClN5O3 and a molar mass of 508.08 g/mol. Its CAS registry number is 109293-21-2. The IUPAC name is 5-[2-(3-azidophenyl)ethyl-(tritritiomethyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile, hydrochloride.

What is the CAS number of LU 49888?

The CAS registry number of LU 49888 is 109293-21-2.

What is the molecular formula and weight of LU 49888?

The molecular formula of LU 49888 is C26H36ClN5O3 and its molar mass is 508.08 g/mol.

What is LU 49888 used for?

Known uses and roles of LU 49888 include isotope-labelled compounds in research and laboratory.

Is LU 49888 hazardous?

No GHS hazard classification for LU 49888 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 LU 49888?

LU 49888 is usually classified under HS code 284441 (Tritium and its compounds, alloys, dispersions (including cermets), ceramic products and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy LU 49888?

Post a free request on CompoundList and suppliers of LU 49888 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of LU 49888?

Suppliers quote LU 49888 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 LU 49888

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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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