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Molecule record

(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

C23H28F2N6O4S

522.58 g/mol

Loading structure

Molecular properties

Formula
C23H28F2N6O4S
Molar mass
522.58 g·mol−1
Exact mass
522.1861 Da
12
PubChem CID
9871419

Functional groups

Alcohol
Alkane / alkyl carbon
Aromatic ring
Aryl halide
Ether
Secondary amine
Sulfide

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 274693-27-5
  • AR-C126532XX
  • AZD-6140
  • AZD6140
  • B01AC24
  • Brilinta
  • Brilique
  • C23H28F2N6O4S
Show all 24 synonyms
  • CHEBI:68558
  • DTXCID501436166
  • DTXSID901009337
  • GLH0314RVC
  • MFCD09954148
  • Possia
  • RefChem:56923
  • SCHEMBL1979652
  • TICAGRELOR [ORANGE BOOK]
  • TICAGRELOR [USP-RS]
  • TICARGRELOR
  • Ticagrelor
  • Ticagrelor Form
  • Ticagrelor [USAN]
  • UNII-GLH0314RVC
  • ticagrelorum

Structure identifiers

Canonical SMILES
CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1
Isomeric SMILES
CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F
InChI
InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1
InChIKey
OEKWJQXRCDYSHL-FNOIDJSQSA-N
PubChem CID
9871419

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record