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

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-(((2,4-DIMETHYL-1-OXIDO-5-PYRIMIDINYL)OXY)METHYL)-2-(3-FLUOROPHENYL)-N-(5-FLUORO-2-PYRIDINYL)-, (1R,2S)-

SMILES

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

InChI

InChIKey=YEEQIMGTQDOHHG-PGRDOPGGSA-N
InChI=1S/C22H20F2N4O3/c1-13-19(11-28(30)14(2)26-13)31-12-22(15-4-3-5-16(23)8-15)9-18(22)21(29)27-20-7-6-17(24)10-25-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,25,27,29)/t18-,22+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CYCLOPROPANECARBOXAMIDE, 2-(((2,4-DIMETHYL-1-OXIDO-5-PYRIMIDINYL)OXY)METHYL)-2-(3-FLUOROPHENYL)-N-(5-FLUORO-2-PYRIDINYL)-, (1R,2S)-
Systematic Name English
LEMBOREXANT METABOLITE M4
Common Name English
Code System Code Type Description
FDA UNII
Q86TE42WCP
Created by admin on Sat Dec 16 15:42:25 GMT 2023 , Edited by admin on Sat Dec 16 15:42:25 GMT 2023
PRIMARY
PUBCHEM
145996810
Created by admin on Sat Dec 16 15:42:25 GMT 2023 , Edited by admin on Sat Dec 16 15:42:25 GMT 2023
PRIMARY
CAS
1369765-94-5
Created by admin on Sat Dec 16 15:42:25 GMT 2023 , Edited by admin on Sat Dec 16 15:42:25 GMT 2023
PRIMARY