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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18F3NO4
Molecular Weight 393.3564
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WAY-120491

SMILES

CC1(C)OC2=CC=C(OC(F)(F)F)C=C2[C@H]([C@@H]1O)N3CC4=C(C=CC=C4)C3=O

InChI

InChIKey=ZORATYFUTXFLJS-SJORKVTESA-N
InChI=1S/C20H18F3NO4/c1-19(2)17(25)16(24-10-11-5-3-4-6-13(11)18(24)26)14-9-12(27-20(21,22)23)7-8-15(14)28-19/h3-9,16-17,25H,10H2,1-2H3/t16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H18F3NO4
Molecular Weight 393.3564
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 Sat Dec 16 14:11:06 GMT 2023
Edited
by admin
on Sat Dec 16 14:11:06 GMT 2023
Record UNII
018NME21ED
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WAY-120491
Common Name English
(-)-(3S-TRANS)-2-(3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-6-(TRIFLUOROMETHOXY)-2H-1-BENZOPYRAN-4-YL)-2,3-DIHYDRO-1H-ISOINDOL-1-ONE
Systematic Name English
CELIKALIM
Brand Name English
1H-ISOINDOL-1-ONE, 2-((3S,4R)-3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-6-(TRIFLUOROMETHOXY)-2H-1-BENZOPYRAN-4-YL)-2,3-DIHYDRO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90924963
Created by admin on Sat Dec 16 14:11:06 GMT 2023 , Edited by admin on Sat Dec 16 14:11:06 GMT 2023
PRIMARY
FDA UNII
018NME21ED
Created by admin on Sat Dec 16 14:11:06 GMT 2023 , Edited by admin on Sat Dec 16 14:11:06 GMT 2023
PRIMARY
PUBCHEM
130292
Created by admin on Sat Dec 16 14:11:06 GMT 2023 , Edited by admin on Sat Dec 16 14:11:06 GMT 2023
PRIMARY
CAS
124916-54-7
Created by admin on Sat Dec 16 14:11:06 GMT 2023 , Edited by admin on Sat Dec 16 14:11:06 GMT 2023
PRIMARY