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Isotope-labelled compounds

Salmeterol-d3

Also known as 4-[1-deuterio-1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-[dideuterio(hydroxy)methyl]phenol, (+/-)-Salmeterol-d3 (3-hydroxymethyl-d2, alpha-d1), SALMETEROL-D3 (3-HYDROXYMETHYL-D2, alpha-D1)

CAS 497063-94-2Formula C25H37NO4Molar mass 418.59 g/mol
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Salmeterol-d3 chemical structure, C25H37NO4, CAS 497063-94-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
497063-94-2
Formula
C25H37NO4
Molar mass
418.59 g/mol
HS code
284590
Category
Isotope-labelled compounds

What is Salmeterol-d3?

Plain description, key identifiers and synonyms

Salmeterol-d3 is a chemical substance with the molecular formula C25H37NO4 and a molar mass of 418.59 g/mol. Its CAS registry number is 497063-94-2. The IUPAC name is 4-[1-deuterio-1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-[dideuterio(hydroxy)methyl]phenol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[1-deuterio-1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-[dideuterio(hydroxy)methyl]phenol
CAS number
497063-94-2 CAS number cross-checked
Molecular formula
C25H37NO4
MDL number
MFCD06658792
InChIKey
GIIZNNXWQWCKIB-LPUTUNIKSA-N
InChI
InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2/i20D2,25D
Canonical SMILES
OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O
Isomeric SMILES
[2H]C([2H])(C1=C(C=CC(=C1)C([2H])(CNCCCCCCOCCCCC2=CC=CC=C2)O)O)O

Synonyms

  • 4-[1-deuterio-1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-[dideuterio(hydroxy)methyl]phenol
  • (+/-)-Salmeterol-d3 (3-hydroxymethyl-d2, alpha-d1)
  • SALMETEROL-D3 (3-HYDROXYMETHYL-D2, alpha-D1)
  • Salmeterol-d3 Solution in Methanol, 100ug/mL
  • Salmeterol-d3 Solution in Methanol, 500ug/mL
  • Salmeterol D3 (3-hydroxymethyl D2, alpha D1)
  • 2-[Hydroxy(~2~H_2_)methyl]-4-[1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}(1-~2~H)ethyl]phenol

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
418.59 g/molcalc.
Exact mass
418.2911 Dacalc.
LogP (octanol/water)
4.11calc.
Topological polar surface area
81.95 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
16calc.
Heavy atoms
30calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.52calc.
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, c1ccc(CCCCOCCCCCCNCCc2ccccc2)cc1

c1ccc(CCCCOCCCCCCNCCc2ccccc2)cc1

2 rings, 26 atoms.

11 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.

Salmeterol-d3 suppliers

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Salmeterol-d3 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 Salmeterol-d3 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Salmeterol-d3 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Salmeterol-d3, based on the data on this page

What is Salmeterol-d3?

Salmeterol-d3 is a chemical substance with the molecular formula C25H37NO4 and a molar mass of 418.59 g/mol. Its CAS registry number is 497063-94-2. The IUPAC name is 4-[1-deuterio-1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-[dideuterio(hydroxy)methyl]phenol.

What is the CAS number of Salmeterol-d3?

The CAS registry number of Salmeterol-d3 is 497063-94-2.

What is the molecular formula and weight of Salmeterol-d3?

The molecular formula of Salmeterol-d3 is C25H37NO4 and its molar mass is 418.59 g/mol.

What is Salmeterol-d3 used for?

Known uses and roles of Salmeterol-d3 include isotope-labelled compounds in research and laboratory.

Is Salmeterol-d3 hazardous?

No GHS hazard classification for Salmeterol-d3 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 Salmeterol-d3?

Salmeterol-d3 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Salmeterol-d3?

Post a free request on CompoundList and suppliers of Salmeterol-d3 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Salmeterol-d3?

Suppliers quote Salmeterol-d3 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 Salmeterol-d3

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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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