GSK-598809 L-TARTRATE SESQUIHYDRATE

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C22H23F4N5OS.2C4H6O6.3H2O
Molecular Weight	1317.239
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GSK-598809 L-TARTRATE SESQUIHYDRATE

Structure Search

SMILES

O.O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1C(SCCCN2C[C@@H]3C[C@@]3(C2)C4=CC=C(C=C4F)C(F)(F)F)=NN=C1C5=C(C)N=CO5.CN6C(SCCCN7C[C@@H]8C[C@@]8(C7)C9=CC=C(C=C9F)C(F)(F)F)=NN=C6C%10=C(C)N=CO%10

InChI

InChIKey=ZSQRMUCJNSWJPL-AAMGSAFESA-N

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

HIDE SMILES / InChI

Approval Year

Name

Type

Language

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)

Preferred Name

English

GSK-598809 L-TARTRATE SESQUIHYDRATE

Common Name

English

Code System Code Type Description

FDA UNII

015F06XTHY

Created by admin on Mon Mar 31 18:21:13 GMT 2025 , Edited by admin on Mon Mar 31 18:21:13 GMT 2025

PRIMARY

PUBCHEM

131634699