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Screening compounds

Casopitant

Also known as Zunrisa, (2R,4S)-4-(4-acetylpiperazin-1-yl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide, 1-Piperidinecarboxamide, 4-(4-acetyl-1-piperazinyl)-N-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methyl-, (2R,4S)-

CAS 414910-27-3Formula C30H35F7N4O2Molar mass 616.62 g/mol
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Casopitant chemical structure, C30H35F7N4O2, CAS 414910-27-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
414910-27-3
Formula
C30H35F7N4O2
Molar mass
616.62 g/mol
HS code
293359
Category
Screening compounds

What is Casopitant?

Plain description, key identifiers and synonyms

Casopitant is a member of piperidines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,4S)-4-(4-acetylpiperazin-1-yl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CAS number
414910-27-3 CAS number cross-checkedOther or deprecated CAS: 852393-14-7
Molecular formula
C30H35F7N4O2
UNII
3B03KPM27L
InChIKey
XGGTZCKQRWXCHW-WMTVXVAQSA-N
InChI
InChI=1S/C30H35F7N4O2/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3/t19-,25+,27-/m1/s1
Canonical SMILES
CC(=O)N1CCN(C2CCN(C(=O)N(C)C(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(c3ccc(F)cc3C)C2)CC1
Isomeric SMILES
CC1=C(C=CC(=C1)F)[C@H]2C[C@H](CCN2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C(=O)C

Synonyms

  • Zunrisa
  • (2R,4S)-4-(4-acetylpiperazin-1-yl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
  • 1-Piperidinecarboxamide, 4-(4-acetyl-1-piperazinyl)-N-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methyl-, (2R,4S)-
  • casopitantum
  • (2R,4S)-4-(4-acetylpiperazin-1-yl)-N-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
  • (2R,4S)-4-(4-Acetylpiperazin-1-yl)-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
  • GW 679769
  • Rezonic (proposed trade name)
  • Zunrisa (proposed trade name)
  • cis-(1''-Acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4''-bipiperidine-1-carboxamide

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
616.62 g/molcalc.
Exact mass
616.2648 Dacalc.
LogP (octanol/water)
6.65calc.
Topological polar surface area
47.1 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
43calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.53calc.
Formal charge
0calc.
Stereocentres
3calc.
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, O=C(NCc1ccccc1)N1CCC(N2CCNCC2)CC1c1ccccc1

O=C(NCc1ccccc1)N1CCC(N2CCNCC2)CC1c1ccccc1

4 rings, 28 atoms.

4 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.

Casopitant suppliers

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Casopitant 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

Pharmacological actions

  • Antiemetics
  • Neurokinin-1 Receptor Antagonists

Roles

  • antidepressant
  • antiemetic
  • central nervous system drug
  • pharmaceutical
  • psychotropic drug

Pharmacology

Casopitant is a centrally-acting neurokinin 1 (NK1) receptor antagonist with antidepressant and antiemetic activities. Casopitant competitively binds to and blocks the activity of the NK-receptor, thereby inhibiting NK1-receptor binding of the endogenous tachykinin neuropeptide substance P (SP), which may result in antiemetic effects. SP is found in neurons of vagal afferent fibers innervating the brain-stem nucleus tractus solitarii and the area postrema, which contains the chemoreceptor trigger zone (CTZ), and may be elevated in response to chemotherapy. The NK-receptor is a G-protein receptor coupled to the inositol phosphate signal-transduction pathway and is found in both the nucleus tractus solitarii and the area postrema.

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 Casopitant is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Casopitant?

Casopitant is a member of piperidines.

What is the CAS number of Casopitant?

The CAS registry number of Casopitant is 414910-27-3. Other or deprecated CAS numbers: 852393-14-7.

What is the molecular formula and weight of Casopitant?

The molecular formula of Casopitant is C30H35F7N4O2 and its molar mass is 616.62 g/mol.

What is Casopitant used for?

Known uses and roles of Casopitant include building blocks in research and laboratory, screening compounds in research and laboratory, antidepressant, antiemetic, central nervous system drug and 4 more.

Is Casopitant hazardous?

No GHS hazard classification for Casopitant 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 Casopitant?

Casopitant is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Casopitant?

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What is the price of Casopitant?

Suppliers quote Casopitant 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 Casopitant

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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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