((7S)-4-(5-CHLORO-1,3-BENZOXAZOL-2-YL)-7-(HYDROXYMETHYL)-1,4-DIAZEPAN-1-YL)-(5-METHYL-2-(TRIAZOL-2-YL)PHENYL)METHANONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H23ClN6O3
Molecular Weight	466.92
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ((7S)-4-(5-CHLORO-1,3-BENZOXAZOL-2-YL)-7-(HYDROXYMETHYL)-1,4-DIAZEPAN-1-YL)-(5-METHYL-2-(TRIAZOL-2-YL)PHENYL)METHANONE

Structure Search

SMILES

CC1=CC(C(=O)N2CCN(CC[C@H]2CO)C3=NC4=C(O3)C=CC(Cl)=C4)=C(C=C1)N5N=CC=N5

InChI

InChIKey=YHLUBSKZTKXZLQ-KRWDZBQOSA-N

InChI=1S/C23H23ClN6O3/c1-15-2-4-20(30-25-7-8-26-30)18(12-15)22(32)29-11-10-28(9-6-17(29)14-31)23-27-19-13-16(24)3-5-21(19)33-23/h2-5,7-8,12-13,17,31H,6,9-11,14H2,1H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H23ClN6O3
Molecular Weight	466.92
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:16:56 GMT 2023` Edited by `admin` on `Sat Dec 16 15:16:56 GMT 2023`
Record UNII	BQ3ZED7JDX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

((7S)-4-(5-CHLORO-1,3-BENZOXAZOL-2-YL)-7-(HYDROXYMETHYL)-1,4-DIAZEPAN-1-YL)-(5-METHYL-2-(TRIAZOL-2-YL)PHENYL)METHANONE

Systematic Name

English

L-002083792

Common Name

English

SUVOREXANT METABOLITE M10A

Common Name

English

Code System Code Type Description

PUBCHEM

155928945

Created by admin on Sat Dec 16 15:16:56 GMT 2023 , Edited by admin on Sat Dec 16 15:16:56 GMT 2023

PRIMARY

FDA UNII

BQ3ZED7JDX

Created by admin on Sat Dec 16 15:16:56 GMT 2023 , Edited by admin on Sat Dec 16 15:16:56 GMT 2023

PRIMARY

Related Record Type Details


					081L192FO9

SUVOREXANT

PARENT -> METABOLITE

Comments:

In plasma, M10A was the minor metabolite. In feces, M10A was accounted for 9% of dose.

Qualification:

FECAL; PLASMA