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

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)-

Structure Search

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 `Wed Apr 02 06:38:35 GMT 2025` Edited by `admin` on `Wed Apr 02 06:38:35 GMT 2025`
Record UNII	UO0G8EEV0T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LEMBOREXANT METABOLITE M9

Preferred Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

UO0G8EEV0T

Created by admin on Wed Apr 02 06:38:35 GMT 2025 , Edited by admin on Wed Apr 02 06:38:35 GMT 2025

PRIMARY

CAS

1369766-49-3

Created by admin on Wed Apr 02 06:38:35 GMT 2025 , Edited by admin on Wed Apr 02 06:38:35 GMT 2025

PRIMARY

PUBCHEM

56943753

Created by admin on Wed Apr 02 06:38:35 GMT 2025 , Edited by admin on Wed Apr 02 06:38:35 GMT 2025

PRIMARY

Related Record Type Details


					0K5743G68X

LEMBOREXANT

PARENT -> METABOLITE

Qualification:

PLASMA