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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H25FN4O2
Molecular Weight 420.4793
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FILOREXANT

SMILES

C[C@@H]1CC[C@@H](COC2=CC=C(F)C=N2)CN1C(=O)C3=C(C=CC(C)=C3)C4=NC=CC=N4

InChI

InChIKey=NPFDWHQSDBWQLH-QZTJIDSGSA-N
InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H25FN4O2
Molecular Weight 420.4793
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 06:48:49 UTC 2023
Edited
by admin
on Sat Dec 16 06:48:49 UTC 2023
Record UNII
E6BTT8VA5Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FILOREXANT
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
METHANONE, ((2R,5R)-5-(((5-FLUORO-2-PYRIDINYL)OXY)METHYL)-2-METHYL-1-PIPERIDINYL)(5-METHYL-2-(2-PYRIMIDINYL)PHENYL)-
Systematic Name English
filorexant [INN]
Common Name English
FILOREXANT [USAN]
Common Name English
MK-6096
Code English
Filorexant [WHO-DD]
Common Name English
[(2R,5R)-5-{[(5-Fluoropyridin-2-yl)oxy]methyl}-2-methylpiperidin-1-yl][5-methyl-2-(pyrimidin-2-yl)phenyl]methanone
Systematic Name English
Code System Code Type Description
CAS
1088991-73-4
Created by admin on Sat Dec 16 06:48:49 UTC 2023 , Edited by admin on Sat Dec 16 06:48:49 UTC 2023
PRIMARY
WIKIPEDIA
Filorexant
Created by admin on Sat Dec 16 06:48:49 UTC 2023 , Edited by admin on Sat Dec 16 06:48:49 UTC 2023
PRIMARY
USAN
ZZ-36
Created by admin on Sat Dec 16 06:48:49 UTC 2023 , Edited by admin on Sat Dec 16 06:48:49 UTC 2023
PRIMARY
FDA UNII
E6BTT8VA5Z
Created by admin on Sat Dec 16 06:48:49 UTC 2023 , Edited by admin on Sat Dec 16 06:48:49 UTC 2023
PRIMARY
DRUG BANK
DB12158
Created by admin on Sat Dec 16 06:48:49 UTC 2023 , Edited by admin on Sat Dec 16 06:48:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID50148764
Created by admin on Sat Dec 16 06:48:49 UTC 2023 , Edited by admin on Sat Dec 16 06:48:49 UTC 2023
PRIMARY
NCI_THESAURUS
C169980
Created by admin on Sat Dec 16 06:48:49 UTC 2023 , Edited by admin on Sat Dec 16 06:48:49 UTC 2023
PRIMARY
INN
9671
Created by admin on Sat Dec 16 06:48:49 UTC 2023 , Edited by admin on Sat Dec 16 06:48:49 UTC 2023
PRIMARY
PUBCHEM
25128145
Created by admin on Sat Dec 16 06:48:49 UTC 2023 , Edited by admin on Sat Dec 16 06:48:49 UTC 2023
PRIMARY
SMS_ID
300000034195
Created by admin on Sat Dec 16 06:48:49 UTC 2023 , Edited by admin on Sat Dec 16 06:48:49 UTC 2023
PRIMARY
ChEMBL
CHEMBL2107822
Created by admin on Sat Dec 16 06:48:49 UTC 2023 , Edited by admin on Sat Dec 16 06:48:49 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
BINDING
Ki
TARGET -> INHIBITOR
BINDING
Ki
Related Record Type Details
ACTIVE MOIETY