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Respiratory, allergy and digestive drugs

Rolapitant

Also known as Varuby, (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one, (5S,8S)-8-(((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro(4.5)decan-2-one

CAS 552292-08-7Formula C25H26F6N2O2Molar mass 500.48 g/molEC 812-147-5
GHS signal word: Warning. Pictograms: Serious health hazard 14 suppliers listed Drug substance
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Rolapitant chemical structure, C25H26F6N2O2, CAS 552292-08-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
552292-08-7
Formula
C25H26F6N2O2
Molar mass
500.48 g/mol
EC number
812-147-5
HS code
293339
Category
Respiratory, allergy and digestive drugs

What is Rolapitant?

Plain description, key identifiers and synonyms

Rolapitant is an azaspiro compound that is 1,7-diazaspiro[4.5]decan-2-one carrying additional phenyl and 1-{[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl substituents at position 8. Used (in the form of the hydrochloride hydrate) for the prevention of delayed nausea and vomiting associated with initial and repeat courses of emetogenic cancer chemotherapy. It has a role as an antiemetic and a neurokinin-1 receptor antagonist. It is an ether, a member of piperidines, an azaspiro compound, an organofluorine compound and a member of pyrrolidin-2-ones. It is a conjugate base of a rolapitant(1+).

Rolapitant is a pharmaceutical drug.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one
CAS number
552292-08-7 CAS number cross-checked
EC number
812-147-5
Molecular formula
C25H26F6N2O2
UNII
NLE429IZUC
MDL number
MFCD23105917
InChIKey
FIVSJYGQAIEMOC-ZGNKEGEESA-N
InChI
InChI=1S/C25H26F6N2O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34)/t16-,22-,23-/m1/s1
Canonical SMILES
CC(OCC1(c2ccccc2)CCC2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Isomeric SMILES
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@]3(CCC(=O)N3)CN2)C4=CC=CC=C4

Synonyms

  • Varuby
  • (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one
  • (5S,8S)-8-(((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro(4.5)decan-2-one
  • (5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one
  • (5S,8S)-8-{[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl}-8-phenyl-1,7-diazaspiro[4.5]decan-2-one
  • 1,7-Diazaspiro(4.5)decan-2-one, 8-(((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-, (5S,8S)-
  • rolapitantum
  • (5S,8S)-8-(((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,9-diazaspiro(4.5)decan-2-one
  • Sch 619734
  • Rolapitant free base
  • Varubi
  • (5S,8S)-8-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one
  • Varubi (TN)
  • 8-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro(4,5)decan-2-one
  • Rolapitant?
  • (5S,8S)-8-[[(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,7-diazaspiro[4.5]decan-2-one
  • 5552292-08-7 (free base)
  • Rolapitant (Standard)
  • Rolapitant (USAN/INN)
  • Rolapitant(sch619734)
  • (5S,8S)-8-{[(1R)-1-[3,

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
500.48 g/molcalc.
Exact mass
500.1898 Dacalc.
LogP (octanol/water)
5.73calc.
Topological polar surface area
50.36 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
5calc.
Heavy atoms
35calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.48calc.
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=C1CCC2(CCC(COCc3ccccc3)(c3ccccc3)NC2)N1

O=C1CCC2(CCC(COCc3ccccc3)(c3ccccc3)NC2)N1

4 rings, 26 atoms.

11 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H361Suspected of damaging fertility or the unborn child.
Precautionary statements (5)
  • P203Obtain, read and follow all safety instructions before use.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P318If exposed or concerned, get medical advice.
  • P405Store locked up.
  • 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

Rolapitant suppliers

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All 14 suppliers
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Where suppliers are based

14 suppliers in 2 countries

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Rolapitant 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

  • Neurokinin-1 Receptor Antagonists

Roles

  • antagonist
  • antiemetic
  • neurokinin-1 receptor antagonist
  • pharmaceutical

Pharmacology

Rolapitant is a Substance P/Neurokinin-1 Receptor Antagonist. The mechanism of action of rolapitant is as a Neurokinin 1 Antagonist, and Cytochrome P450 2D6 Inhibitor, and Breast Cancer Resistance Protein Inhibitor, and P-Glycoprotein Inhibitor.

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 Rolapitant is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−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 Rolapitant is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Rolapitant?

Rolapitant is an azaspiro compound that is 1,7-diazaspiro[4.5]decan-2-one carrying additional phenyl and 1-{[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl substituents at position 8.

What is the CAS number of Rolapitant?

The CAS registry number of Rolapitant is 552292-08-7.

What is the molecular formula and weight of Rolapitant?

The molecular formula of Rolapitant is C25H26F6N2O2 and its molar mass is 500.48 g/mol.

What is Rolapitant used for?

Known uses and roles of Rolapitant include antagonist, antiemetic, neurokinin-1 receptor antagonist, pharmaceutical and neurokinin-1 receptor antagonists.

Is Rolapitant hazardous?

Rolapitant carries the GHS signal word "Warning". Main hazards: suspected of damaging fertility or the unborn child. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Rolapitant?

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

Where can I buy Rolapitant?

CompoundList lists 14 suppliers of Rolapitant in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Rolapitant?

Suppliers quote Rolapitant 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

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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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