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Screening compounds

Ipratropium bromide hydrate

Also known as Ipratropium bromide monohydrate, Sch 1000-Br-monohydrate, Atrovent

CAS 66985-17-9Formula C20H32BrNO4Molar mass 430.38 g/molEC 622-130-2
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Ipratropium bromide hydrate chemical structure, C20H32BrNO4, CAS 66985-17-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
66985-17-9
Formula
C20H32BrNO4
Molar mass
430.38 g/mol
EC number
622-130-2
HS code
293399
Category
Screening compounds

What is Ipratropium bromide hydrate?

Plain description, key identifiers and synonyms

Ipratropium bromide hydrate is the monohydrate form of ipratropium bromide. An anticholinergic drug, ipratropium bromide blocks the muscarinic cholinergic receptors in the smooth muscles of the bronchi in the lungs. This opens the bronchi, so providing relief in chronic obstructive pulmonary disease and acute asthma. It has a role as a bronchodilator agent and a muscarinic antagonist. It contains an ipratropium bromide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate, bromide, hydrate
CAS number
66985-17-9 CAS number cross-checkedOther or deprecated CAS: 922491-06-3
EC number
622-130-2
Molecular formula
C20H32BrNO4
UNII
J697UZ2A9J
MDL number
MFCD04108705
InChIKey
KEWHKYJURDBRMN-XFQAGIBXSA-M
InChI
InChI=1S/C20H30NO3.BrH.H2O/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H;1H2/q+1;;/p-1/t16-,17+,18?,19?,21?;;
Canonical SMILES
CC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O.[Br-]
Isomeric SMILES
CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.O.[Br-]

Synonyms

  • Ipratropium bromide monohydrate
  • Sch 1000-Br-monohydrate
  • Atrovent
  • SCH-1000-Br-
  • [(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate, bromide, hydrate
  • 8-Azoniabicyclo[3.2.1]octane,3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide,hydrate (1:1:1), (3-endo,8-syn)-
  • rel-(1R,3r,5S,8s)-3-((3-Hydroxy-2-phenylpropanoyl)oxy)-8-isopropyl-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide hydrate
  • (1R,5S)-3-[(3-Hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azabicyclo[3.2.1]octan-8-ium hydrate bromide
  • Atrovent (TN)
  • (3-endo,8-syn)-3-(3-Hydroxy-1-oxo-2-phenylpropyl)-8-methyl-8-(1-methylethyl)-8-azoniabicyclo[3.2.1]octane Bromode Monohydrate, Atropine Isopropyl Bromide,
  • Ipratropium bromide CRS
  • Ipratropium bromide (USP)
  • Ipratropium bromide
  • Ipratropium bromide hydrate (JP17)
  • [(5R)-8-Methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate, bromide
  • Duoneb component ipratropium bromide
  • Duovent component ipratropium bromide
  • Combivent component ipratropium bromide
  • Ipratropium bromide monohydrate, >=98% (TLC), powder
  • Ipratropium bromide monohydrate Solution in Water, 100ug/mL
  • Ipratropium bromide monohydrate Solution in Water, 1000ug/mL
  • Ipratropium bromide, European Pharmacopoeia (EP) Reference Standard
  • Ipratropium bromide, United States Pharmacopeia (USP) Reference Standard
  • (1R,3r,5S)-3-[(3-Hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-8-ium bromide--water (1/1/1)
  • (1R,3r,5S,8r)-3-[[(2RS)-3-Hydroxy-2-phenylpropanoyl]oxy]-8-methyl-8-(1-methylethyl)-8-azoniabicyclo[3.2.1]octane bromide monohydrate
Show all 30 synonyms
  • (3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide--water (1/1)
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide, hydrate (1:1:1), (3-endo,8-syn)-
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide, monohydrate, (3-endo,8-syn)-
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide, monohydrate, (endo,syn)-(+/-)-
  • rel-(1R,3r,5S,8r)-3-((3-hydroxy-2-phenylpropanoyl)oxy)-8-isopropyl-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide hydrate

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
430.38 g/molcalc.
Exact mass
429.1515 Dacalc.
LogP (octanol/water)
-0.97calc.
Topological polar surface area
78.03 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
5calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.65calc.
Formal charge
0calc.
Stereocentres
5calc.
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=C(Cc1ccccc1)OC1CC2CCC(C1)N2

O=C(Cc1ccccc1)OC1CC2CCC(C1)N2

3 rings, 18 atoms.

234 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.

Ipratropium bromide hydrate suppliers

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Where suppliers are based

6 suppliers in 3 countries

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Ipratropium bromide hydrate price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • bronchodilator agent
  • cholinergic antagonist
  • cholinergic drug
  • muscarinic antagonist
  • neurotransmitter agent
  • pharmaceutical

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 Ipratropium bromide hydrate 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 Ipratropium bromide hydrate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ipratropium bromide hydrate, based on the data on this page

What is Ipratropium bromide hydrate?

Ipratropium bromide hydrate is the monohydrate form of ipratropium bromide. An anticholinergic drug, ipratropium bromide blocks the muscarinic cholinergic receptors in the smooth muscles of the bronchi in the lungs. This opens the bronchi, so providing relief in chronic obstructive pulmonary disease and acute asthma.

What is the CAS number of Ipratropium bromide hydrate?

The CAS registry number of Ipratropium bromide hydrate is 66985-17-9. Other or deprecated CAS numbers: 922491-06-3.

What is the molecular formula and weight of Ipratropium bromide hydrate?

The molecular formula of Ipratropium bromide hydrate is C20H32BrNO4 and its molar mass is 430.38 g/mol.

What is Ipratropium bromide hydrate used for?

Known uses and roles of Ipratropium bromide hydrate include building blocks in research and laboratory, screening compounds in research and laboratory, bronchodilator agent, cholinergic antagonist, cholinergic drug and 3 more.

Is Ipratropium bromide hydrate hazardous?

No GHS hazard classification for Ipratropium bromide hydrate 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 Ipratropium bromide hydrate?

Ipratropium bromide hydrate 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 Ipratropium bromide hydrate?

CompoundList lists 6 suppliers of Ipratropium bromide hydrate in China, United States and Germany. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Ipratropium bromide hydrate?

Suppliers quote Ipratropium bromide hydrate on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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