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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H19F2N3O3S
Molecular Weight 455.477
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-033447 PYRROLE

SMILES

[H][C@@]12COCCN1C(=O)C3=C(O)C=CN3N2[C@@H]4C5=C(SCC6=C4C=CC(F)=C6F)C=CC=C5

InChI

InChIKey=ZSOJTFLHNTTZIV-CTNGQTDRSA-N
InChI=1S/C23H19F2N3O3S/c24-16-6-5-13-15(20(16)25)12-32-18-4-2-1-3-14(18)21(13)28-19-11-31-10-9-26(19)23(30)22-17(29)7-8-27(22)28/h1-8,19,21,29H,9-12H2/t19-,21+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
S-033447 PYRROLE
Common Name English
BALOXAVIR METABOLITE (S-033447 PYRROLE)
Common Name English
Code System Code Type Description
FDA UNII
CZU8BX4NFR
Created by admin on Sat Dec 16 15:08:49 GMT 2023 , Edited by admin on Sat Dec 16 15:08:49 GMT 2023
PRIMARY
PUBCHEM
155804695
Created by admin on Sat Dec 16 15:08:49 GMT 2023 , Edited by admin on Sat Dec 16 15:08:49 GMT 2023
PRIMARY PUBCHEM