Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: GSK-598809 L-tartrate sesquihydrate
RN: 1008521-09-2
UNII: 015F06XTHY
InChIKey: ZSQRMUCJNSWJPL-AAMGSAFESA-N

Molecular Formula

  • 2C22-H23-F4-N5-O-S.2C4-H6-O6.3H2-O

Molecular Weight

  • 1317.2386
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • GSK-598809 L-tartrate sesquihydrate

Synonyms

  • 3-Azabicyclo(3.1.0)hexane, 1-(2-fluoro-4-(trifluoromethyl)phenyl)-3-(3-((4-methyl-5-(4-methyl-5-oxazolyl)-4H-1,2,4-triazol-3-yl)thio)propyl)-, (1S,5R)-, (2R,3R)-2,3-dihydroxybutanedioate, hydrate (2:2:3)
  • GSK-598809 L-tartrate sesquihydrate
  • UNII-015F06XTHY

Registry Numbers

CAS Registry Number

  • 1008521-09-2

FDA UNII

  • 015F06XTHY

System Generated Number

  • 1008521092

Structure Descriptors

InChI

1S/2C22H23F4N5OS.2C4H6O6.3H2O/c2*1-13-18(32-12-27-13)19-28-29-20(30(19)2)33-7-3-6-31-10-15-9-21(15,11-31)16-5-4-14(8-17(16)23)22(24,25)26;2*5-1(3(7)8)2(6)4(9)10;;;/h2*4-5,8,12,15H,3,6-7,9-11H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10);3*1H2/t2*15-,21-;2*1-,2-;;;/m0011.../s1

InChIKey

ZSQRMUCJNSWJPL-AAMGSAFESA-N

Smiles

O.O.O.Cc1ncoc1c2nnc(SCCCN3C[C@@H]4C[C@@]4(C3)c5ccc(cc5F)C(F)(F)F)n2C.Cc6ncoc6c7nnc(SCCCN8C[C@@H]9C[C@@]9(C8)c%10ccc(cc%10F)C(F)(F)F)n7C.O[C@H]([C@@H](O)C(=O)O)C(=O)O.O[C@H]([C@@H](O)C(=O)O)C(=O)O