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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H15F2N5O3S
Molecular Weight 395.384
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-2 DESMETHYL-VERUBECESTAT

SMILES

C[C@]1(CS(=O)(=O)NC(N)=N1)C2=CC(NC(=O)C3=CC=C(F)C=N3)=CC=C2F

InChI

InChIKey=UEUHXIANORISLA-INIZCTEOSA-N
InChI=1S/C16H15F2N5O3S/c1-16(8-27(25,26)23-15(19)22-16)11-6-10(3-4-12(11)18)21-14(24)13-5-2-9(17)7-20-13/h2-7H,8H2,1H3,(H,21,24)(H3,19,22,23)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H15F2N5O3S
Molecular Weight 395.384
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:44:12 UTC 2023
Edited
by admin
on Sat Dec 16 13:44:12 UTC 2023
Record UNII
NGR951C3SG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-2 DESMETHYL-VERUBECESTAT
Common Name English
2-PYRIDINECARBOXAMIDE, N-(3-((5R)-3-AMINO-5,6-DIHYDRO-5-METHYL-1,1-DIOXIDO-2H-1,2,4-THIADIAZIN-5-YL)-4-FLUOROPHENYL)-5-FLUORO-
Systematic Name English
Code System Code Type Description
PUBCHEM
135390780
Created by admin on Sat Dec 16 13:44:13 UTC 2023 , Edited by admin on Sat Dec 16 13:44:13 UTC 2023
PRIMARY
CAS
1975140-14-7
Created by admin on Sat Dec 16 13:44:13 UTC 2023 , Edited by admin on Sat Dec 16 13:44:13 UTC 2023
PRIMARY
FDA UNII
NGR951C3SG
Created by admin on Sat Dec 16 13:44:13 UTC 2023 , Edited by admin on Sat Dec 16 13:44:13 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE