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Substance Name: Ticagrelor monohydrate
RN: 1648912-09-7
UNII: 0UZ317Q903
InChIKey: LXLCTRJKFYBHRD-VQNGXBDNSA-N

Note

  • A P2Y(12) antagonist with antiplatelet activity.

Molecular Formula

  • C23-H28-F2-N6-O4-S.H2-O

Molecular Weight

  • 540.589
 

Classification Codes

  • Neurotransmitter Agents
  • Purinergic Agents
  • Purinergic Antagonists
  • Purinergic P2 Receptor Antagonists
  • Purinergic P2Y Receptor Antagonists
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Names and Synonyms

Name of Substance

  • Ticagrelor monohydrate

Synonyms

  • 1,2-Cyclopentanediol, 3-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-1,2,3-triazolo(4,5-d)pyrimidin-3-yl)-5-(2-hydroxyethoxy)-, hydrate (1:1), (1S,2S,3R,5S)-
  • Ticagrelor hydrate
  • Ticagrelor hydrate [WHO-DD]
  • Ticagrelor monohydrate
  • Ticagrelor monohydrate, (-)-
  • UNII-0UZ317Q903

Registry Numbers

CAS Registry Number

  • 1648912-09-7

FDA UNII

  • 0UZ317Q903

System Generated Number

  • 1648912097

Structure Descriptors

InChI

1S/C23H28F2N6O4S.H2O/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);1H2/t12-,15+,16+,17-,19-,20+;/m0./s1

InChIKey

LXLCTRJKFYBHRD-VQNGXBDNSA-N

Smiles

O.CCCSc1nc(N[C@@H]2C[C@H]2c3ccc(F)c(F)c3)c4nnn([C@@H]5C[C@H](OCCO)[C@@H](O)[C@H]5O)c4n1