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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H33F2N3O4
Molecular Weight 477.545
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SETAFRASTAT

SMILES

CC1(C)CC(C)(C)CC(C1)(C(C(=O)N2CCC[C@@]2([H])c3cc(COc4cccnc4)on3)(F)F)O

InChI

InChIKey=CSZFOLMDHFDLLR-FQEVSTJZSA-N
InChI=1S/C25H33F2N3O4/c1-22(2)14-23(3,4)16-24(32,15-22)25(26,27)21(31)30-10-6-8-20(30)19-11-18(34-29-19)13-33-17-7-5-9-28-12-17/h5,7,9,11-12,20,32H,6,8,10,13-16H2,1-4H3/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H33F2N3O4
Molecular Weight 477.545
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 Jun 26 14:44:50 UTC 2021
Edited
by admin
on Sat Jun 26 14:44:50 UTC 2021
Record UNII
A4GA99B6HK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SETAFRASTAT
INN  
Official Name English
TS-133
Code English
ETHANONE, 2,2-DIFLUORO-2-(1-HYDROXY-3,3,5,5-TETRAMETHYLCYCLOHEXYL)-1-((2S)-2-(5-((3-PYRIDINYLOXY)METHYL)-3-ISOXAZOLYL)-1-PYRROLIDINYL)-
Systematic Name English
TS133
Code English
SETAFRASTAT [INN]
Common Name English
2,2-DIFLUORO-2-(1-HYDROXY-3,3,5,5-TETRAMETHYLCYCLOHEXYL)-1-((2S)-2-(5-((3-PYRIDINYLOXY)METHYL)-3-ISOXAZOLYL)-1-PYRROLIDINYL)ETHANONE
Systematic Name English
Code System Code Type Description
PUBCHEM
73672050
Created by admin on Sat Jun 26 14:44:50 UTC 2021 , Edited by admin on Sat Jun 26 14:44:50 UTC 2021
PRIMARY
CAS
1399715-48-0
Created by admin on Sat Jun 26 14:44:50 UTC 2021 , Edited by admin on Sat Jun 26 14:44:50 UTC 2021
PRIMARY
INN
10581
Created by admin on Sat Jun 26 14:44:50 UTC 2021 , Edited by admin on Sat Jun 26 14:44:50 UTC 2021
PRIMARY
NCI_THESAURUS
C171782
Created by admin on Sat Jun 26 14:44:50 UTC 2021 , Edited by admin on Sat Jun 26 14:44:50 UTC 2021
PRIMARY
FDA UNII
A4GA99B6HK
Created by admin on Sat Jun 26 14:44:50 UTC 2021 , Edited by admin on Sat Jun 26 14:44:50 UTC 2021
PRIMARY
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