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Details

Stereochemistry RACEMIC
Molecular Formula C19H26ClN7O4.CH4O3S
Molecular Weight 548.013
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GS-9411

SMILES

CS(O)(=O)=O.NC1=NC(N)=C(Cl)N=C1C(=O)NC(=N)NCCCCC2=CC=C(OCC(O)CO)C=C2

InChI

InChIKey=ZYOATBKPEFZNGP-UHFFFAOYSA-N
InChI=1S/C19H26ClN7O4.CH4O3S/c20-15-17(22)26-16(21)14(25-15)18(30)27-19(23)24-8-2-1-3-11-4-6-13(7-5-11)31-10-12(29)9-28;1-5(2,3)4/h4-7,12,28-29H,1-3,8-10H2,(H4,21,22,26)(H3,23,24,27,30);1H3,(H,2,3,4)

HIDE SMILES / InChI

Approval Year

Name Type Language
GS-9411
Code English
PS-552-02
Code English
2-PYRAZINECARBOXAMIDE, 3,5-DIAMINO-6-CHLORO-N-(((4-(4-(2,3-DIHYDROXYPROPOXY)PHENYL)BUTYL)AMINO)IMINOMETHYL)-, METHANESULFONATE (1:1)
Systematic Name English
552-02
Common Name English
Code System Code Type Description
FDA UNII
81U49K9009
Created by admin on Fri Dec 15 18:25:44 UTC 2023 , Edited by admin on Fri Dec 15 18:25:44 UTC 2023
PRIMARY
PUBCHEM
11548455
Created by admin on Fri Dec 15 18:25:44 UTC 2023 , Edited by admin on Fri Dec 15 18:25:44 UTC 2023
PRIMARY
CAS
587879-54-7
Created by admin on Fri Dec 15 18:25:44 UTC 2023 , Edited by admin on Fri Dec 15 18:25:44 UTC 2023
PRIMARY