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

Structure Search

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

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 15:42:25 UTC 2023` Edited by `admin` on `Sat Dec 16 15:42:25 UTC 2023`
Record UNII	Q86TE42WCP
Record Status	`Validated (UNII)`
Record Version

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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 UTC 2023 , Edited by admin on Sat Dec 16 15:42:25 UTC 2023

PRIMARY

PUBCHEM

145996810

Created by admin on Sat Dec 16 15:42:25 UTC 2023 , Edited by admin on Sat Dec 16 15:42:25 UTC 2023

PRIMARY

CAS

1369765-94-5

Created by admin on Sat Dec 16 15:42:25 UTC 2023 , Edited by admin on Sat Dec 16 15:42:25 UTC 2023

PRIMARY

Related Record Type Details


					0K5743G68X

LEMBOREXANT

PARENT -> METABOLITE

Qualification:

PLASMA