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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H20F2N4O3
Molecular Weight 426.416
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOPROPANECARBOXAMIDE, 2-(3-FLUOROPHENYL)-N-(5-FLUORO-2-PYRIDINYL)-2-(((2-(HYDROXYMETHYL)-4-METHYL-5-PYRIMIDINYL)OXY)METHYL)-, (1R,2S)-

SMILES

CC1=NC(CO)=NC=C1OC[C@]2(C[C@H]2C(=O)NC3=NC=C(F)C=C3)C4=CC=CC(F)=C4

InChI

InChIKey=MJYYQAXWQXOSFG-HTAPYJJXSA-N
InChI=1S/C22H20F2N4O3/c1-13-18(10-26-20(11-29)27-13)31-12-22(14-3-2-4-15(23)7-14)8-17(22)21(30)28-19-6-5-16(24)9-25-19/h2-7,9-10,17,29H,8,11-12H2,1H3,(H,25,28,30)/t17-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H20F2N4O3
Molecular Weight 426.416
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 15:43:39 GMT 2023
Edited
by admin
on Sat Dec 16 15:43:39 GMT 2023
Record UNII
UO0G8EEV0T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOPROPANECARBOXAMIDE, 2-(3-FLUOROPHENYL)-N-(5-FLUORO-2-PYRIDINYL)-2-(((2-(HYDROXYMETHYL)-4-METHYL-5-PYRIMIDINYL)OXY)METHYL)-, (1R,2S)-
Systematic Name English
LEMBOREXANT METABOLITE M9
Common Name English
Code System Code Type Description
FDA UNII
UO0G8EEV0T
Created by admin on Sat Dec 16 15:43:39 GMT 2023 , Edited by admin on Sat Dec 16 15:43:39 GMT 2023
PRIMARY
CAS
1369766-49-3
Created by admin on Sat Dec 16 15:43:39 GMT 2023 , Edited by admin on Sat Dec 16 15:43:39 GMT 2023
PRIMARY
PUBCHEM
56943753
Created by admin on Sat Dec 16 15:43:39 GMT 2023 , Edited by admin on Sat Dec 16 15:43:39 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA