U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H18ClFN6O2.C6H6O3S
Molecular Weight 599.033
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RAVOXERTINIB BESYLATE

SMILES

OS(=O)(=O)C1=CC=CC=C1.CN2N=CC=C2NC3=NC(=CC=N3)C4=CC(=O)N(C=C4)[C@H](CO)C5=CC=C(Cl)C(F)=C5

InChI

InChIKey=TWSFAQBOAWKKIH-GMUIIQOCSA-N
InChI=1S/C21H18ClFN6O2.C6H6O3S/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14;7-10(8,9)6-4-2-1-3-5-6/h2-11,18,30H,12H2,1H3,(H,24,26,27);1-5H,(H,7,8,9)/t18-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
RAVOXERTINIB BESYLATE
Common Name English
BENZENESULFONIC ACID, COMPD. WITH 1-((1S)-1-(4-CHLORO-3-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(2-((1-METHYL-1H-PYRAZOL-5-YL)AMINO)-4-PYRIMIDINYL)-2(1H)-PYRIDINONE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
91971355
Created by admin on Sat Dec 16 09:24:09 UTC 2023 , Edited by admin on Sat Dec 16 09:24:09 UTC 2023
PRIMARY
CAS
1817728-45-2
Created by admin on Sat Dec 16 09:24:09 UTC 2023 , Edited by admin on Sat Dec 16 09:24:09 UTC 2023
PRIMARY
FDA UNII
TMG3621R53
Created by admin on Sat Dec 16 09:24:09 UTC 2023 , Edited by admin on Sat Dec 16 09:24:09 UTC 2023
PRIMARY