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Heterocyclic building blocks

Fosnetupitant

Also known as 07-PNET, 4-(5-{2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamido}-4-(2-methylphenyl)pyridin-2-yl)-1-[(hydrogen phosphonatooxy)methyl]-1-methylpiperazin-1-ium, Piperazinium, 4-(5-((2-(3,5-bis(trifluoromethyl)phenyl)-2-methyl-1-oxopropyl)methylamino)-4-(2-methylphenyl)-2-pyridinyl)-1-methyl-1-((phosphonooxy)methyl)-

CAS 1703748-89-3Formula C31H35F6N4O5PMolar mass 688.61 g/mol
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Fosnetupitant chemical structure, C31H35F6N4O5P, CAS 1703748-89-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1703748-89-3
Formula
C31H35F6N4O5P
Molar mass
688.61 g/mol
HS code
293359
Category
Heterocyclic building blocks

What is Fosnetupitant?

Plain description, key identifiers and synonyms

Fosnetupitant is a prodrug of netupitant, a selective neurokinin 1 receptor (NK1R, TACR1) antagonist, with potential antiemetic activity. Upon intravenous administration, fosnetupitant is converted by phosphatases to its active form netupitant. Netupitant competitively binds to and blocks the activity of NK1Rs in the central nervous system (CNS), by inhibiting binding of the endogenous tachykinin-derived neuropeptide substance P (SP) to NK1R. This prevents delayed emesis, which is associated with SP secretion. This may prevent chemotherapy-induced nausea and vomiting (CINV).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[4-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(2-methylphenyl)-2-pyridinyl]-1-methylpiperazin-1-ium-1-yl]methyl hydrogen phosphate
CAS number
1703748-89-3 CAS number cross-checked
Molecular formula
C31H35F6N4O5P
UNII
T672P80L2S
InChIKey
HZIYEEMJNBKMJH-UHFFFAOYSA-N
InChI
InChI=1S/C31H35F6N4O5P/c1-20-8-6-7-9-24(20)25-17-27(40-10-12-41(5,13-11-40)19-46-47(43,44)45)38-18-26(25)39(4)28(42)29(2,3)21-14-22(30(32,33)34)16-23(15-21)31(35,36)37/h6-9,14-18H,10-13,19H2,1-5H3,(H-,43,44,45)
SMILES (canonical and isomeric)
CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC[N+](CC4)(C)COP(=O)(O)[O-]

Synonyms

  • 07-PNET
  • 4-(5-{2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamido}-4-(2-methylphenyl)pyridin-2-yl)-1-[(hydrogen phosphonatooxy)methyl]-1-methylpiperazin-1-ium
  • Piperazinium, 4-(5-((2-(3,5-bis(trifluoromethyl)phenyl)-2-methyl-1-oxopropyl)methylamino)-4-(2-methylphenyl)-2-pyridinyl)-1-methyl-1-((phosphonooxy)methyl)-
  • fosnetupitantum
  • 4-(5-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(2-methylphenyl)pyridin-2-yl)-1-((hydrogen phosphonatooxy)methyl)-1-methylpiperazin-1-ium
  • (4-(5-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(o-tolyl)pyridin-2-yl)-1-methylpiperazin-1-ium-1-yl)methyl hydrogen phosphate
  • 1703748-89-3 (inner salt)
  • Fosnetupitant (USAN/INN)
  • Fosnetupitant (Pronetupitant)
  • [4-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-propanoyl]-methyl-amino]-4-(o-tolyl)-2-pyridyl]-1-methyl-piperazin-1-ium-1-yl]methyl hydrogen phosphate

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
688.61 g/molcalc.
Exact mass
688.2249 Dacalc.
LogP (octanol/water)
5.74calc.
Topological polar surface area
106 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
8calc.
Heavy atoms
47calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.42calc.
Formal charge
0calc.
Stereocentres
1calc.
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(Cc1ccccc1)Nc1cnc(N2CCNCC2)cc1-c1ccccc1

O=C(Cc1ccccc1)Nc1cnc(N2CCNCC2)cc1-c1ccccc1

4 rings, 28 atoms.

16 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.

Fosnetupitant suppliers

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Fosnetupitant 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

Pharmacology

Fosnetupitant is an antiemetic agent that is given in combination with palonosetron and dexamethasone to prevent nausea and vomiting from cancer chemotherapy. When given in combination, fosnetupitant and palonosetron have not been associated with liver related serum enzyme elevations during therapy or to cases of clinically apparent liver injury with jaundice.

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

Frequently asked questions

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

What is Fosnetupitant?

Fosnetupitant is a prodrug of netupitant, a selective neurokinin 1 receptor (NK1R, TACR1) antagonist, with potential antiemetic activity. Upon intravenous administration, fosnetupitant is converted by phosphatases to its active form netupitant.

What is the CAS number of Fosnetupitant?

The CAS registry number of Fosnetupitant is 1703748-89-3.

What is the molecular formula and weight of Fosnetupitant?

The molecular formula of Fosnetupitant is C31H35F6N4O5P and its molar mass is 688.61 g/mol.

What is Fosnetupitant used for?

Known uses and roles of Fosnetupitant include building blocks in research and laboratory.

Is Fosnetupitant hazardous?

No GHS hazard classification for Fosnetupitant 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 Fosnetupitant?

Fosnetupitant 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 Fosnetupitant?

CompoundList lists 1 supplier of Fosnetupitant 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 Fosnetupitant?

Suppliers quote Fosnetupitant 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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