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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

OC1=C2N(C=C1)N([C@@H]3COCCN3C2=O)[C@@H]4C5=CC=CC=C5SCC6=C(F)C(F)=CC=C46

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

Molecular Formula C23H19F2N3O3S
Molecular Weight 455.477
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 04:12:32 GMT 2025
Edited
by admin
on Wed Apr 02 04:12:32 GMT 2025
Record UNII
CZU8BX4NFR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BALOXAVIR METABOLITE (S-033447 PYRROLE)
Preferred Name English
S-033447 PYRROLE
Common Name English
Code System Code Type Description
FDA UNII
CZU8BX4NFR
Created by admin on Wed Apr 02 04:12:32 GMT 2025 , Edited by admin on Wed Apr 02 04:12:32 GMT 2025
PRIMARY
PUBCHEM
155804695
Created by admin on Wed Apr 02 04:12:32 GMT 2025 , Edited by admin on Wed Apr 02 04:12:32 GMT 2025
PRIMARY PUBCHEM
Related Record Type Details
PARENT -> METABOLITE