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Doxylamine chemical structure, C17H22N2O, CAS 469-21-6
2D chemical structure

Key facts

What buyers check first

Appearance
Liq
Melting point
100 to 104
Boiling point
137 to 141
Solubility
1 G DISSOLVES IN 1 ML WATER, 1 G DISSOLVES IN 2 ML ALCOHOL, SLIGHTLY SOL IN BENZENE & ETโ€ฆ
HS code
293339
Category
Respiratory, allergy and digestive drugs

What is Doxylamine?

Plain description, key identifiers and synonyms

Doxylamine is a member of pyridines and a tertiary amine. It has a role as a sedative, a H1-receptor antagonist, a histamine antagonist, a cholinergic antagonist, an anti-allergic agent, an antiemetic and an antitussive.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
CAS number
469-21-6 CAS number cross-checkedOther or deprecated CAS: 562-10-7, 76210-47-4
EC number
207-414-2
Molecular formula
C17H22N2O
UNII
95QB77JKPL
MDL number
MFCD00599469
InChIKey
HCFDWZZGGLSKEP-UHFFFAOYSA-N
InChI
InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3
SMILES (canonical and isomeric)
CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C

Synonyms

  • Dossilamina
  • Doxylaminum
  • Doxilminio
  • doxilamina
  • 2-Dimethylaminoethoxyphenylmethyl-2-picoline
  • N,N-Dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)ethanamine
  • Phenyl-2-pyridylmethyl-beta-N,N-dimethylaminoethyl ether
  • 2-(alpha-(2-(Dimethylamino)ethoxy)-alpha-methylbenzyl)pyridine
  • dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine
  • Ethanamine, N,N-dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)-
  • Pyridine, 2-(alpha-(2-(dimethylamino)ethoxy)-alpha-methylbenzyl)-
  • Ethanamine, N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]-
  • dimethyl((2-(1-phenyl-1-(pyridin-2-yl)ethoxy)ethyl))amine
  • (+-)-Doxylamine
  • (+/-)-Doxylamine
  • N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
  • S-Doxylamine
  • Doxylamine (INN)
  • Doxylaminephenyl-d5
  • Alsadorm
  • Decapryn (TN)
  • Pyridine, 2-[alpha-[2-(dimethylamino)ethoxy]-alpha-methylbenzyl]-
  • ()-Doxylamine
  • N,N-Dimethyl-2-[(1S)-1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine, (S)-N,N-Dimethyl-2-(1-phenyl-1-(pyridin-2-yl)ethoxy)ethanamine
  • 5-21-03-00508 (Beilstein Handbook Reference)

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

Appearance
Liqexp.
Melting point
100 to 104exp.
Boiling point
137 to 141exp.
Solubility
1 G DISSOLVES IN 1 ML WATER, 1 G DISSOLVES IN 2 ML ALCOHOL, SLIGHTLY SOL IN BENZENE & ETHER, 1 G DISSOLVES IN 2 ML CHLOROFORM /SUCCINATE/exp.
Vapour pressure
Slightly volatileexp.

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
270.38 g/molcalc.
Exact mass
270.1732 Dacalc.
LogP (octanol/water)
2.92calc.
Topological polar surface area
25.36 ร…ยฒcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
6calc.
Heavy atoms
20calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.35calc.
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(Cc2ccccn2)cc1

c1ccc(Cc2ccccn2)cc1

2 rings, 13 atoms, the 2-(Phenylmethyl)pyridine ring system.

671 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get 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 aid

Doxylamine suppliers

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Doxylamine 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.

Pharmacological actions

  • Antiemetics
  • Histamine H1 Antagonists

Roles

  • H1-receptor antagonist
  • antagonist
  • anti-allergic agent
  • antiemetic
  • antitussive
  • central nervous system depressant
  • central nervous system drug
  • cholinergic antagonist
  • cholinergic drug
  • histamine antagonist
  • histaminergic drug
  • neurotransmitter agent
  • pharmaceutical
  • sedative

Pharmacology

Doxylamine is an Antihistamine. The mechanism of action of doxylamine is as a Histamine Receptor Antagonist.

How it is made

Prepd from phenyl-2-pyridylmethylcarbinol & beta-n,n-dimethylaminoethyl chloride in presence of sodamide in xylene... Sperber et al., j am chem soc 71,887 (1949)

2-Acetylpyridine + phenylmagnesium bromide + 2-dimethylaminoethyl chloride hydrochloride (Grignard reaction/ether formation)

Pyridine + acetophenone + 2-diethylaminoethyl chloride hydrochloride (Grignard reagent formation/Grignard reaction/ether formation)

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Doxylamine (INN) and its salts, Ref no: 176, Annex ref: II/176
  • 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 Doxylamine is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structureโ€ฆ

World exports in 2024
$9.16B
โˆ’17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Doxylamine, based on the data on this page

What is Doxylamine?

Doxylamine is a member of pyridines and a tertiary amine. It has a role as a sedative, a H1-receptor antagonist, a histamine antagonist, a cholinergic antagonist, an anti-allergic agent, an antiemetic and an antitussive.

What is the CAS number of Doxylamine?

The CAS registry number of Doxylamine is 469-21-6. Other or deprecated CAS numbers: 562-10-7, 76210-47-4.

What is the molecular formula and weight of Doxylamine?

The molecular formula of Doxylamine is C17H22N2O and its molar mass is 270.38 g/mol.

What is Doxylamine used for?

Use classes: Pharmaceuticals.

Is Doxylamine hazardous?

Doxylamine carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Doxylamine?

Doxylamine is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in theโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Doxylamine?

CompoundList lists 53 suppliers of Doxylamine in China, United States, India, Spain and 11 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Doxylamine in India?

8 suppliers in India list Doxylamine on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Doxylamine?

Suppliers quote Doxylamine 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 Doxylamine

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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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