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Screening compounds

N-Hydroxy ticagrelor

Also known as N-HydroxyTicagrelor

CAS 1644461-92-6Formula C23H28F2N6O5SMolar mass 538.58 g/mol
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N-Hydroxy ticagrelor chemical structure, C23H28F2N6O5S, CAS 1644461-92-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1644461-92-6
Formula
C23H28F2N6O5S
Molar mass
538.58 g/mol
HS code
293359
Category
Screening compounds

What is N-Hydroxy ticagrelor?

Plain description, key identifiers and synonyms

N-Hydroxy ticagrelor is a chemical substance with the molecular formula C23H28F2N6O5S and a molar mass of 538.58 g/mol. Its CAS registry number is 1644461-92-6. The IUPAC name is (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]-hydroxyamino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]-hydroxyamino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
CAS number
1644461-92-6
Molecular formula
C23H28F2N6O5S
InChIKey
HRRGLQQOMMYJIB-FNOIDJSQSA-N
InChI
InChI=1S/C23H28F2N6O5S/c1-2-7-37-23-26-21-18(28-29-30(21)16-10-17(36-6-5-32)20(34)19(16)33)22(27-23)31(35)15-9-12(15)11-3-4-13(24)14(25)8-11/h3-4,8,12,15-17,19-20,32-35H,2,5-7,9-10H2,1H3/t12-,15+,16+,17-,19-,20+/m0/s1
Canonical SMILES
CCCSc1nc(N(O)C2CC2c2ccc(F)c(F)c2)c2nnn(C3CC(OCCO)C(O)C3O)c2n1
Isomeric SMILES
CCCSC1=NC2=C(C(=N1)N([C@@H]3C[C@H]3C4=CC(=C(C=C4)F)F)O)N=NN2[C@@H]5C[C@@H]([C@H]([C@H]5O)O)OCCO

Synonyms

  • N-HydroxyTicagrelor

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
538.58 g/molcalc.
Exact mass
538.181 Dacalc.
LogP (octanol/water)
1.8calc.
Topological polar surface area
149.9 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
10calc.
Heavy atoms
37calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.57calc.
Formal charge
0calc.
Stereocentres
6calc.
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, c1ccc(C2CC2Nc2ncnc3c2nnn3C2CCCC2)cc1

c1ccc(C2CC2Nc2ncnc3c2nnn3C2CCCC2)cc1

5 rings, 24 atoms.

31 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.

N-Hydroxy ticagrelor suppliers

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

Frequently asked questions

Quick answers about N-Hydroxy ticagrelor, based on the data on this page

What is N-Hydroxy ticagrelor?

N-Hydroxy ticagrelor is a chemical substance with the molecular formula C23H28F2N6O5S and a molar mass of 538.58 g/mol. Its CAS registry number is 1644461-92-6.

What is the CAS number of N-Hydroxy ticagrelor?

The CAS registry number of N-Hydroxy ticagrelor is 1644461-92-6.

What is the molecular formula and weight of N-Hydroxy ticagrelor?

The molecular formula of N-Hydroxy ticagrelor is C23H28F2N6O5S and its molar mass is 538.58 g/mol.

What is N-Hydroxy ticagrelor used for?

Known uses and roles of N-Hydroxy ticagrelor include building blocks in research and laboratory and screening compounds in research and laboratory.

Is N-Hydroxy ticagrelor hazardous?

No GHS hazard classification for N-Hydroxy ticagrelor 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 N-Hydroxy ticagrelor?

N-Hydroxy ticagrelor 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 N-Hydroxy ticagrelor?

Post a free request on CompoundList and suppliers of N-Hydroxy ticagrelor will send you quotes. Your contact details stay private until you accept a quote.

What is the price of N-Hydroxy ticagrelor?

Suppliers quote N-Hydroxy ticagrelor 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 N-Hydroxy ticagrelor

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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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