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

Details

Stereochemistry RACEMIC
Molecular Formula C23H28N6O4
Molecular Weight 452.5062
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FRESELESTAT

SMILES

CC(C)C(NC(=O)CN1C(=O)C(N)=CN=C1C2=CC=CC=C2)C(=O)C3=NN=C(O3)C(C)(C)C

InChI

InChIKey=YSIHYROEMJSOAS-UHFFFAOYSA-N
InChI=1S/C23H28N6O4/c1-13(2)17(18(31)20-27-28-22(33-20)23(3,4)5)26-16(30)12-29-19(14-9-7-6-8-10-14)25-11-15(24)21(29)32/h6-11,13,17H,12,24H2,1-5H3,(H,26,30)

HIDE SMILES / InChI

Molecular Formula C23H28N6O4
Molecular Weight 452.5062
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:44:19 UTC 2023
Edited
by admin
on Fri Dec 15 18:44:19 UTC 2023
Record UNII
1CW4RL23VP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FRESELESTAT
INN  
INN  
Official Name English
freselestat [INN]
Common Name English
2-(5-AMINO-6-OXO-2-PHENYLPYRIMIDIN-1(6H)-YL)-N-((1RS)-1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-3-METHYL-1-OXOBUTAN-2-YL)ACETAMIDE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C783
Created by admin on Fri Dec 15 18:44:19 UTC 2023 , Edited by admin on Fri Dec 15 18:44:19 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL25892
Created by admin on Fri Dec 15 18:44:19 UTC 2023 , Edited by admin on Fri Dec 15 18:44:19 UTC 2023
PRIMARY
FDA UNII
1CW4RL23VP
Created by admin on Fri Dec 15 18:44:19 UTC 2023 , Edited by admin on Fri Dec 15 18:44:19 UTC 2023
PRIMARY
CAS
208848-19-5
Created by admin on Fri Dec 15 18:44:19 UTC 2023 , Edited by admin on Fri Dec 15 18:44:19 UTC 2023
PRIMARY
SMS_ID
300000037006
Created by admin on Fri Dec 15 18:44:19 UTC 2023 , Edited by admin on Fri Dec 15 18:44:19 UTC 2023
PRIMARY
INN
8342
Created by admin on Fri Dec 15 18:44:19 UTC 2023 , Edited by admin on Fri Dec 15 18:44:19 UTC 2023
PRIMARY
NCI_THESAURUS
C96306
Created by admin on Fri Dec 15 18:44:19 UTC 2023 , Edited by admin on Fri Dec 15 18:44:19 UTC 2023
PRIMARY
DRUG BANK
DB03925
Created by admin on Fri Dec 15 18:44:19 UTC 2023 , Edited by admin on Fri Dec 15 18:44:19 UTC 2023
PRIMARY
PUBCHEM
216294
Created by admin on Fri Dec 15 18:44:19 UTC 2023 , Edited by admin on Fri Dec 15 18:44:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID50943150
Created by admin on Fri Dec 15 18:44:19 UTC 2023 , Edited by admin on Fri Dec 15 18:44:19 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY