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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H25ClN6O2
Molecular Weight 464.947
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FI-6828K FREE ACID

SMILES

CCCCC1=NC(Cl)=C(C2OCCO2)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

InChI

InChIKey=YYUVSONNQPVUPK-UHFFFAOYSA-N
InChI=1S/C24H25ClN6O2/c1-2-3-8-20-26-22(25)21(24-32-13-14-33-24)31(20)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)23-27-29-30-28-23/h4-7,9-12,24H,2-3,8,13-15H2,1H3,(H,27,28,29,30)

HIDE SMILES / InChI

Molecular Formula C24H25ClN6O2
Molecular Weight 464.947
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:00:56 UTC 2023
Edited
by admin
on Sat Dec 16 11:00:56 UTC 2023
Record UNII
K6K94P4RT0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FI-6828K FREE ACID
Common Name English
2H-TETRAZOLE, 5-(4'-((2-BUTYL-4-CHLORO-5-(1,3-DIOXOLAN-2-YL)-1H-IMIDAZOL-1-YL)METHYL)(1,1'-BIPHENYL)-2-YL)-
Systematic Name English
1H-TETRAZOLE, 5-(4'-((2-BUTYL-4-CHLORO-5-(1,3-DIOXOLAN-2-YL)-1H-IMIDAZOL-1-YL)METHYL)(1,1'-BIPHENYL)-2-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9956113
Created by admin on Sat Dec 16 11:00:57 UTC 2023 , Edited by admin on Sat Dec 16 11:00:57 UTC 2023
PRIMARY
CAS
271593-76-1
Created by admin on Sat Dec 16 11:00:57 UTC 2023 , Edited by admin on Sat Dec 16 11:00:57 UTC 2023
PRIMARY
FDA UNII
K6K94P4RT0
Created by admin on Sat Dec 16 11:00:57 UTC 2023 , Edited by admin on Sat Dec 16 11:00:57 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY