CYCLOPROPANECARBOXAMIDE, 2-(((2,4-DIMETHYL-5-PYRIMIDINYL)OXY)METHYL)-2-(5-FLUORO-2-HYDROXYPHENYL)-N-(5-FLUORO-2-PYRIDINYL)-, (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-(((2,4-DIMETHYL-5-PYRIMIDINYL)OXY)METHYL)-2-(5-FLUORO-2-HYDROXYPHENYL)-N-(5-FLUORO-2-PYRIDINYL)-, (1R,2S)-

Structure Search

SMILES

CC1=NC=C(OC[C@]2(C[C@H]2C(=O)NC3=NC=C(F)C=C3)C4=C(O)C=CC(F)=C4)C(C)=N1

InChI

InChIKey=KSOKSTATKQAZBR-HTAPYJJXSA-N

InChI=1S/C22H20F2N4O3/c1-12-19(10-25-13(2)27-12)31-11-22(16-7-14(23)3-5-18(16)29)8-17(22)21(30)28-20-6-4-15(24)9-26-20/h3-7,9-10,17,29H,8,11H2,1-2H3,(H,26,28,30)/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 15:31:00 UTC 2023` Edited by `admin` on `Sat Dec 16 15:31:00 UTC 2023`
Record UNII	16B4MW9AWJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYCLOPROPANECARBOXAMIDE, 2-(((2,4-DIMETHYL-5-PYRIMIDINYL)OXY)METHYL)-2-(5-FLUORO-2-HYDROXYPHENYL)-N-(5-FLUORO-2-PYRIDINYL)-, (1R,2S)-

Systematic Name

English

LEMBOREXANT METABOLITE M7

Common Name

English

Code System Code Type Description

CAS

1369766-52-8

Created by admin on Sat Dec 16 15:31:01 UTC 2023 , Edited by admin on Sat Dec 16 15:31:01 UTC 2023

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PUBCHEM

56943754

Created by admin on Sat Dec 16 15:31:01 UTC 2023 , Edited by admin on Sat Dec 16 15:31:01 UTC 2023

PRIMARY

FDA UNII

16B4MW9AWJ

Created by admin on Sat Dec 16 15:31:01 UTC 2023 , Edited by admin on Sat Dec 16 15:31:01 UTC 2023

PRIMARY

Related Record Type Details


					0K5743G68X

LEMBOREXANT

PARENT -> METABOLITE

Qualification:

PLASMA