CompoundList

Maropitant

Also known as Cerenia Tablets, 1-Azabicyclo[2.2.2]octan-3-amine, N-[[5-(1,1-dimethylethyl)-2-methoxyphenyl]methyl]-2-(diphenylmethyl)-, (2S,3S)-, (2S,3S)-N-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

Maropitant chemical structure, C32H40N2O, CAS 147116-67-4
2D chemical structure

Key facts

What buyers check first

CAS number
147116-67-4
Formula
C32H40N2O
Molar mass
468.69 g/mol
EC number
831-973-7
HS code
293399
Category
Respiratory, allergy and digestive drugs

What is Maropitant?

Plain description, key identifiers and synonyms

Maropitant is a neurokinin receptor antagonist.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3S)-2-benzhydryl-N-[(5-tert-butyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CAS number
147116-67-4 CAS number cross-checked
EC number
831-973-7
Molecular formula
C32H40N2O
UNII
4XE2T9H4DH
MDL number
MFCD00916598, MFCD25541735
InChIKey
OMPCVMLFFSQFIX-CONSDPRKSA-N
InChI
InChI=1S/C32H40N2O/c1-32(2,3)27-15-16-28(35-4)26(21-27)22-33-30-25-17-19-34(20-18-25)31(30)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,21,25,29-31,33H,17-20,22H2,1-4H3/t30-,31-/m0/s1
Canonical SMILES
COc1ccc(C(C)(C)C)cc1CNC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1
Isomeric SMILES
CC(C)(C)C1=CC(=C(C=C1)OC)CN[C@@H]2[C@@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Synonyms

  • Cerenia Tablets
  • 1-Azabicyclo[2.2.2]octan-3-amine, N-[[5-(1,1-dimethylethyl)-2-methoxyphenyl]methyl]-2-(diphenylmethyl)-, (2S,3S)-
  • (2S,3S)-N-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
  • 1-Azabicyclo(2.2.2)octan-3-amine, N-((5-(1,1-dimethylethyl)-2-methoxyphenyl)methyl)-2-(diphenylmethyl)-, (2S,3S)-
  • maropitantum
  • (2S,3S)-N-((5-tert-butyl-2-methoxyphenyl)methyl)-2-(diphenylmethyl)-1-azabicyclo(2.2.2)octan-3-amine
  • Cerenia Injectable Solution
  • (2S,3S)-2-benzhydryl-N-[(5-tert-butyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
  • (2S,3S)-2-Benzhydryl-N-(5-(tert-butyl)-2-methoxybenzyl)quinuclidin-3-amine
  • (2S,3S)-2-Benzhydryl-N-(5-tert-butyl-2-methoxybenzyl) quinuclidin-3-amine
  • (2S,3S)-2-Benzhydryl-N-[5-(tert-butyl)-2-methoxybenzyl]quinuclidin-3-amine
  • (2s,3s)-2-benzhydryl-n-(5-tert-butyl-2-methoxybenzyl)quinuclidin-3-amine
  • (2S,3S)-2-benzhydryl-N-[(5-tert-butyl-2-methoxy-phenyl)methyl]quinuclidin-3-amine
  • (2S,3S)-N-(5-(1,1-Dimethylethyl)-2-methoxybenzyl)-2-(diphenylmethyl)-1-azabicyclo(2.2.2)octan-3-amine

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
468.69 g/molcalc.
Exact mass
468.3141 Dacalc.
LogP (octanol/water)
6.38calc.
Topological polar surface area
24.5 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
7calc.
Heavy atoms
35calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (1 violation)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(CNC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1

c1ccc(CNC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1

6 rings, 29 atoms.

24 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
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H317May cause an allergic skin reaction.
  • H319Causes serious eye irritation.
  • H373May cause damage to organs through prolonged or repeated exposure.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (15)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P391Collect spillage.
  • 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

Maropitant suppliers

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Maropitant price

Indicative price range per kg from live supplier offers

No published prices right now

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

Use classes: Animal Drugs.

Pharmacological actions

  • Antiemetics

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

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

Frequently asked questions

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

What is Maropitant?

Maropitant is a neurokinin receptor antagonist.

What is the CAS number of Maropitant?

The CAS registry number of Maropitant is 147116-67-4.

What is the molecular formula and weight of Maropitant?

The molecular formula of Maropitant is C32H40N2O and its molar mass is 468.69 g/mol.

What is Maropitant used for?

Use classes: Animal Drugs.

Is Maropitant hazardous?

Maropitant carries the GHS signal word "Warning". Main hazards: may cause an allergic skin reaction, causes serious eye irritation, may cause damage to organs through prolonged or repeated exposure. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Maropitant?

Maropitant 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 Maropitant?

CompoundList lists 15 suppliers of Maropitant in China, United States, Hong Kong, India and 2 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Maropitant in India?

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

What is the price of Maropitant?

Suppliers quote Maropitant 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 Maropitant

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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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