((7R)-4-(6-HYDROXY-1,3-BENZOXAZOL-2-YL)-7-METHYL-1,4-DIAZEPAN-1-YL)-(5-METHYL-2-(TRIAZOL-2-YL)PHENYL)METHANONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H24N6O3
Molecular Weight	432.4751
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ((7R)-4-(6-HYDROXY-1,3-BENZOXAZOL-2-YL)-7-METHYL-1,4-DIAZEPAN-1-YL)-(5-METHYL-2-(TRIAZOL-2-YL)PHENYL)METHANONE

Structure Search

SMILES

C[C@@H]1CCN(CCN1C(=O)C2=C(C=CC(C)=C2)N3N=CC=N3)C4=NC5=C(O4)C=C(O)C=C5

InChI

InChIKey=AVKMPKPNTDSURL-MRXNPFEDSA-N

InChI=1S/C23H24N6O3/c1-15-3-6-20(29-24-8-9-25-29)18(13-15)22(31)28-12-11-27(10-7-16(28)2)23-26-19-5-4-17(30)14-21(19)32-23/h3-6,8-9,13-14,16,30H,7,10-12H2,1-2H3/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H24N6O3
Molecular Weight	432.4751
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 14:35:01 UTC 2023` Edited by `admin` on `Sat Dec 16 14:35:01 UTC 2023`
Record UNII	85BCK54NR7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

((7R)-4-(6-HYDROXY-1,3-BENZOXAZOL-2-YL)-7-METHYL-1,4-DIAZEPAN-1-YL)-(5-METHYL-2-(TRIAZOL-2-YL)PHENYL)METHANONE

Systematic Name

English

SUVOREXANT METABOLITE M16

Common Name

English

L-002440875

Common Name

English

Code System Code Type Description

FDA UNII

85BCK54NR7

Created by admin on Sat Dec 16 14:35:01 UTC 2023 , Edited by admin on Sat Dec 16 14:35:01 UTC 2023

PRIMARY

PUBCHEM

156613898

Created by admin on Sat Dec 16 14:35:01 UTC 2023 , Edited by admin on Sat Dec 16 14:35:01 UTC 2023

PRIMARY

Related Record Type Details


					081L192FO9

SUVOREXANT

PARENT -> METABOLITE

Qualification:

PLASMA

Amount: