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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-(((2,6-DIMETHYL-1-OXIDO-5-PYRIMIDINYL)OXY)METHYL)-2-(3-FLUOROPHENYL)-N-(5-FLUORO-2-PYRIDINYL)-, (1R,2S)-

SMILES

CC1=NC=C(OC[C@]2(C[C@H]2C(=O)NC3=NC=C(F)C=C3)C4=CC=CC(F)=C4)C(C)=[N+]1[O-]

InChI

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

HIDE SMILES / InChI

Molecular Formula C22H21F2N4O3
Molecular Weight 427.4239
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 15:35:31 GMT 2023
Edited
by admin
on Sat Dec 16 15:35:31 GMT 2023
Record UNII
HFA1OCI6NI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOPROPANECARBOXAMIDE, 2-(((2,6-DIMETHYL-1-OXIDO-5-PYRIMIDINYL)OXY)METHYL)-2-(3-FLUOROPHENYL)-N-(5-FLUORO-2-PYRIDINYL)-, (1R,2S)-
Systematic Name English
LEMBOREXANT METABOLITE M10
Common Name English
Code System Code Type Description
FDA UNII
HFA1OCI6NI
Created by admin on Sat Dec 16 15:35:31 GMT 2023 , Edited by admin on Sat Dec 16 15:35:31 GMT 2023
PRIMARY
CAS
1369765-95-6
Created by admin on Sat Dec 16 15:35:31 GMT 2023 , Edited by admin on Sat Dec 16 15:35:31 GMT 2023
PRIMARY
PUBCHEM
145996699
Created by admin on Sat Dec 16 15:35:31 GMT 2023 , Edited by admin on Sat Dec 16 15:35:31 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA