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Respiratory, allergy and digestive drugs

Fosaprepitant

Also known as fosaprepitantum, (3-{[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl}-5-oxo-2,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid, (3-(((2R,3S)-2-((1R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholin-4-yl)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid

CAS 172673-20-0Formula C23H22F7N4O6PMolar mass 614.41 g/mol
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Fosaprepitant chemical structure, C23H22F7N4O6P, CAS 172673-20-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
172673-20-0
Formula
C23H22F7N4O6P
Molar mass
614.41 g/mol
HS code
293499
Category
Respiratory, allergy and digestive drugs

What is Fosaprepitant?

Plain description, key identifiers and synonyms

Fosaprepitant is a morpholine derivative that is the (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl ether of (3-{[(2R,3S)-3-(4-fluorophenyl)-2-hydroxymorpholin-4-yl]methyl}-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid. It has a role as a prodrug, an antiemetic and a neurokinin-1 receptor antagonist. It is a phosphoramide, a member of triazoles, a member of morpholines, a cyclic acetal and a member of (trifluoromethyl)benzenes. It is a conjugate acid of a fosaprepitant(2-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphonic acid
CAS number
172673-20-0 CAS number cross-checked
Molecular formula
C23H22F7N4O6P
UNII
6L8OF9XRDC
InChIKey
BARDROPHSZEBKC-OITMNORJSA-N
InChI
InChI=1S/C23H22F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38)/t12-,19+,20-/m1/s1
Canonical SMILES
CC(OC1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)C1c1ccc(F)cc1)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)O[C@@H]2[C@@H](N(CCO2)CC3=NN(C(=O)N3)P(=O)(O)O)C4=CC=C(C=C4)F

Synonyms

  • fosaprepitantum
  • (3-{[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl}-5-oxo-2,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid
  • (3-(((2R,3S)-2-((1R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholin-4-yl)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid
  • (3-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholin-4-yl)methyl)-5-oxo-2,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid
  • (3-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholin-4-yl)methyl)-5-oxo-2H-1,2,4-triazol-1-yl)phosphonic acid
  • (3-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid
  • [3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-2H-1,2,4-triazol-1-yl]phosphonic acid
  • Fosaprepitant (INN)
  • [3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphonic acid
  • emend(R) IV
  • fosaprepitant-dimeglumine
  • (3-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-5-oxo-2,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid

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
614.41 g/molcalc.
Exact mass
614.1165 Dacalc.
LogP (octanol/water)
4.37calc.
Topological polar surface area
129.9 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
41calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
3calc.
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, O=c1[nH]nc(CN2CCOC(OCc3ccccc3)C2c2ccccc2)[nH]1

O=c1[nH]nc(CN2CCOC(OCc3ccccc3)C2c2ccccc2)[nH]1

4 rings, 27 atoms.

27 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.

Fosaprepitant suppliers

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All 5 suppliers
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Where suppliers are based

5 suppliers in 1 country

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Fosaprepitant 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

  • antagonist
  • antiemetic
  • antineoplastic agent
  • neurokinin-1 receptor antagonist
  • neuroprotective agent
  • pharmaceutical
  • pro-agent
  • prodrug
  • protective agent

Pharmacology

Fosaprepitant is a Substance P/Neurokinin-1 Receptor Antagonist. The mechanism of action of fosaprepitant is as a Neurokinin 1 Antagonist.

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 Fosaprepitant is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Fosaprepitant?

Fosaprepitant is a morpholine derivative that is the (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl ether of (3-{[(2R,3S)-3-(4-fluorophenyl)-2-hydroxymorpholin-4-yl]methyl}-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid. It has a role as a prodrug, an antiemetic and a neurokinin-1 receptor antagonist.

What is the CAS number of Fosaprepitant?

The CAS registry number of Fosaprepitant is 172673-20-0.

What is the molecular formula and weight of Fosaprepitant?

The molecular formula of Fosaprepitant is C23H22F7N4O6P and its molar mass is 614.41 g/mol.

What is Fosaprepitant used for?

Known uses and roles of Fosaprepitant include antagonist, antiemetic, antineoplastic agent, neurokinin-1 receptor antagonist, neuroprotective agent and 6 more.

Is Fosaprepitant hazardous?

No GHS hazard classification for Fosaprepitant 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 Fosaprepitant?

Fosaprepitant is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Fosaprepitant?

CompoundList lists 5 suppliers of Fosaprepitant in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Fosaprepitant?

Suppliers quote Fosaprepitant 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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