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Impurities and reference standards

Monohydroxy netupitant

Also known as Netupitant metabolite Monohydroxy Netupitant, 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[2-(hydroxymethyl)phenyl]-6-(4-methylpiperazin-1-yl)pyridin-3-yl]-N,2-dimethylpropanamide, 2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-(hydroxymethyl)phenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl)-N,2-dimethylpropanamide

CAS 910808-12-7Formula C30H32F6N4O2Molar mass 594.60 g/mol
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Monohydroxy netupitant chemical structure, C30H32F6N4O2, CAS 910808-12-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
910808-12-7
Formula
C30H32F6N4O2
Molar mass
594.60 g/mol
HS code
293359
Category
Impurities and reference standards

What is Monohydroxy netupitant?

Plain description, key identifiers and synonyms

Monohydroxy netupitant is a chemical substance with the molecular formula C30H32F6N4O2 and a molar mass of 594.60 g/mol. Its CAS registry number is 910808-12-7. The IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[2-(hydroxymethyl)phenyl]-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N,2-dimethylpropanamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[2-(hydroxymethyl)phenyl]-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N,2-dimethylpropanamide
CAS number
910808-12-7
Molecular formula
C30H32F6N4O2
UNII
V5Y2A6BA23
InChIKey
CUGOZHKFGSQBGD-UHFFFAOYSA-N
InChI
InChI=1S/C30H32F6N4O2/c1-28(2,20-13-21(29(31,32)33)15-22(14-20)30(34,35)36)27(42)39(4)25-17-37-26(40-11-9-38(3)10-12-40)16-24(25)23-8-6-5-7-19(23)18-41/h5-8,13-17,41H,9-12,18H2,1-4H3
SMILES (canonical and isomeric)
CC(C)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)N(C)C2=CN=C(C=C2C3=CC=CC=C3CO)N4CCN(CC4)C

Synonyms

  • Netupitant metabolite Monohydroxy Netupitant
  • 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[2-(hydroxymethyl)phenyl]-6-(4-methylpiperazin-1-yl)pyridin-3-yl]-N,2-dimethylpropanamide
  • 2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-(hydroxymethyl)phenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl)-N,2-dimethylpropanamide
  • Netupitant Impurity A
  • Netupitant metabolite m3
  • NetupitantmetaboliteMonohydroxyNetupitant
  • 2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(2-hydroxymethyl-phenyl)-6-(4-methyl-piperazin-1-yl)-pyridin-3-yl]-N-methyl-isobutyramide
  • Benzeneacetamide, N-(4-(2-(hydroxymethyl)phenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl)-n,alpha,alpha-trimethyl-3,5-bis(trifluoromethyl)-
  • N-(4-(2-(Hydroxymethyl)phenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl)-n,alpha,alpha-trimethyl-3,5-bis(trifluoromethyl)benzeneacetamide

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
594.60 g/molcalc.
Exact mass
594.2429 Dacalc.
LogP (octanol/water)
5.97calc.
Topological polar surface area
59.91 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
42calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
0calc.
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.

Monohydroxy netupitant suppliers

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Monohydroxy netupitant 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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

Frequently asked questions

Quick answers about Monohydroxy netupitant, based on the data on this page

What is Monohydroxy netupitant?

Monohydroxy netupitant is a chemical substance with the molecular formula C30H32F6N4O2 and a molar mass of 594.60 g/mol. Its CAS registry number is 910808-12-7. The IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[2-(hydroxymethyl)phenyl]-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N,2-dimethylpropanamide.

What is the CAS number of Monohydroxy netupitant?

The CAS registry number of Monohydroxy netupitant is 910808-12-7.

What is the molecular formula and weight of Monohydroxy netupitant?

The molecular formula of Monohydroxy netupitant is C30H32F6N4O2 and its molar mass is 594.60 g/mol.

Is Monohydroxy netupitant hazardous?

No GHS hazard classification for Monohydroxy netupitant 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 Monohydroxy netupitant?

Monohydroxy netupitant 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 Monohydroxy netupitant?

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What is the price of Monohydroxy netupitant?

Suppliers quote Monohydroxy netupitant 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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