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Screening compounds

Nilotinib hydrobromide

Also known as Nilotinib HBr, Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, hydrobromide (1:1)

CAS 1353151-22-0Formula C28H23BrF3N7OMolar mass 610.44 g/mol
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Nilotinib hydrobromide chemical structure, C28H23BrF3N7O, CAS 1353151-22-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1353151-22-0
Formula
C28H23BrF3N7O
Molar mass
610.44 g/mol
HS code
293359
Category
Screening compounds

What is Nilotinib hydrobromide?

Plain description, key identifiers and synonyms

Nilotinib hydrobromide is a chemical substance with the molecular formula C28H23BrF3N7O and a molar mass of 610.44 g/mol. Its CAS registry number is 1353151-22-0. The IUPAC name is 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide, hydrobromide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide, hydrobromide
CAS number
1353151-22-0
Molecular formula
C28H23BrF3N7O
UNII
BH3BS9EDA8
InChIKey
XBGUAPGMUHIVLC-UHFFFAOYSA-N
InChI
InChI=1S/C28H22F3N7O.BrH/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38;/h3-16H,1-2H3,(H,35,39)(H,33,36,37);1H
SMILES (canonical and isomeric)
CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5.Br

Synonyms

  • Nilotinib HBr
  • Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, hydrobromide (1:1)

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
610.44 g/molcalc.
Exact mass
609.11 Dacalc.
LogP (octanol/water)
6.93calc.
Topological polar surface area
97.62 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
6calc.
Heavy atoms
40calc.
Rings
5calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.11calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
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(Nc1cccc(-n2ccnc2)c1)c1cccc(Nc2nccc(-c3cccnc3)n2)c1

O=C(Nc1cccc(-n2ccnc2)c1)c1cccc(Nc2nccc(-c3cccnc3)n2)c1

5 rings, 33 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.

Nilotinib hydrobromide suppliers

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Nilotinib hydrobromide 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

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

Frequently asked questions

Quick answers about Nilotinib hydrobromide, based on the data on this page

What is Nilotinib hydrobromide?

Nilotinib hydrobromide is a chemical substance with the molecular formula C28H23BrF3N7O and a molar mass of 610.44 g/mol. Its CAS registry number is 1353151-22-0. The IUPAC name is 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide, hydrobromide.

What is the CAS number of Nilotinib hydrobromide?

The CAS registry number of Nilotinib hydrobromide is 1353151-22-0.

What is the molecular formula and weight of Nilotinib hydrobromide?

The molecular formula of Nilotinib hydrobromide is C28H23BrF3N7O and its molar mass is 610.44 g/mol.

What is Nilotinib hydrobromide used for?

Known uses and roles of Nilotinib hydrobromide include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Nilotinib hydrobromide hazardous?

No GHS hazard classification for Nilotinib hydrobromide 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 Nilotinib hydrobromide?

Nilotinib hydrobromide 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 Nilotinib hydrobromide?

Post a free request on CompoundList and suppliers of Nilotinib hydrobromide will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Nilotinib hydrobromide?

Suppliers quote Nilotinib hydrobromide 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 Nilotinib hydrobromide

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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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