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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H18F4N4O2
Molecular Weight 460.4206
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tebideutorexant

SMILES

[2H]C1([2H])[C@H]2C[C@@H](OC3=CC=C(C=N3)C(F)(F)F)[C@H](C2)N1C(=O)C4=C(C(F)=CC=C4)C5=NC=CC=N5

InChI

InChIKey=HUKWIAXQBOHZIX-USKNZQBOSA-N
InChI=1S/C23H18F4N4O2/c24-16-4-1-3-15(20(16)21-28-7-2-8-29-21)22(32)31-12-13-9-17(31)18(10-13)33-19-6-5-14(11-30-19)23(25,26)27/h1-8,11,13,17-18H,9-10,12H2/t13-,17+,18-/m1/s1/i12D2

HIDE SMILES / InChI

Molecular Formula C23H18F4N4O2
Molecular Weight 460.4206
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:48:25 UTC 2023
Edited
by admin
on Sat Dec 16 13:48:25 UTC 2023
Record UNII
DQ7SMA8TWV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Tebideutorexant
INN  
Official Name English
tebideutorexant [INN]
Common Name English
Methanone, [3-fluoro-2-(2-pyrimidinyl)phenyl][(1S,4R,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]hept-2-yl-3,3-d2]-
Systematic Name English
[3-Fluoro-2-(2-pyrimidinyl)phenyl][(1S,4R,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]hept-2-yl-3,3-d2]methanone
Systematic Name English
[3-fluoro-2-(pyrimidin-2-yl)phenyl][(1S,4R,6R)-6-{[5-(trifluoromethyl)pyridin-2-yl]oxy}(3,3-2H2)-2-azabicyclo[2.2.1]heptan-2-yl]methanone
Systematic Name English
Code System Code Type Description
INN
11986
Created by admin on Sat Dec 16 13:48:26 UTC 2023 , Edited by admin on Sat Dec 16 13:48:26 UTC 2023
PRIMARY
NCI_THESAURUS
C190432
Created by admin on Sat Dec 16 13:48:26 UTC 2023 , Edited by admin on Sat Dec 16 13:48:26 UTC 2023
PRIMARY
FDA UNII
DQ7SMA8TWV
Created by admin on Sat Dec 16 13:48:26 UTC 2023 , Edited by admin on Sat Dec 16 13:48:26 UTC 2023
PRIMARY
PUBCHEM
139030979
Created by admin on Sat Dec 16 13:48:26 UTC 2023 , Edited by admin on Sat Dec 16 13:48:26 UTC 2023
PRIMARY
CAS
1637681-55-0
Created by admin on Sat Dec 16 13:48:26 UTC 2023 , Edited by admin on Sat Dec 16 13:48:26 UTC 2023
PRIMARY
SMS_ID
300000045579
Created by admin on Sat Dec 16 13:48:26 UTC 2023 , Edited by admin on Sat Dec 16 13:48:26 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
ANTAGONIST
Related Record Type Details
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
log P PHYSICAL pH
PHYSICAL