SUVOREXANT

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H23ClN6O2
Molecular Weight	450.921
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SUVOREXANT

Structure Search

SMILES

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

InChI

InChIKey=JYTNQNCOQXFQPK-MRXNPFEDSA-N

InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H23ClN6O2
Molecular Weight	450.921
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 `Fri Dec 15 16:07:42 UTC 2023` Edited by `admin` on `Fri Dec 15 16:07:42 UTC 2023`
Record UNII	081L192FO9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SUVOREXANT

Official Name

English

BELSOMRA COMPONENT SUVOREXANT

Brand Name

English

SUVOREXANT [JAN]

Common Name

English

METHANONE, ((7R)-4-(5-CHLORO-2-BENZOXAZOLYL)HEXAHYDRO-7-METHYL-1H-1,4-DIAZEPIN-1-YL)(5-METHYL-2-(2H-1,2,3-TRIAZOL-2-YL)PHENYL)-

Systematic Name

English

MK4305

Code

English

SUVOREXANT [USAN]

Common Name

English

suvorexant [INN]

Common Name

English

MK-4305

Code

English

SUVOREXANT [MI]

Common Name

English

Suvorexant [WHO-DD]

Common Name

English

SUVOREXANT COMPONENT OF BELSOMRA

Brand Name

English

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

Systematic Name

English

SUVOREXANT [ORANGE BOOK]

Common Name

English

BELSOMRA

Brand Name

English

SUVOREXANT [VANDF]

Common Name

English

Classification Tree Code System Code

WHO-ATC

N05CM19

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

DEA NO.

2223

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

NDF-RT

N0000191000

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

Code System Code Type Description

EVMPD

SUB180101

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

EPA CompTox

DTXSID90145616

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

IUPHAR

2890

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

ChEMBL

CHEMBL1083659

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

NDF-RT

N0000185503

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

P-Glycoprotein Inhibitors [MoA]

RXCUI

1547099

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

RxNorm

NDF-RT

N0000190114

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

Cytochrome P450 3A Inhibitors [MoA]

FDA UNII

081L192FO9

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

CAS

1030377-33-3

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

INN

9435

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

SMS_ID

100000166111

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

CHEBI

82698

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

NDF-RT

N0000190998

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

Orexin Receptor Antagonists [MoA]

NCI_THESAURUS

C171858

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

USAN

XX-119

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

PUBCHEM

24965990

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

MERCK INDEX

m11766

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

DRUG BANK

DB09034

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

DAILYMED

081L192FO9

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

DRUG CENTRAL

4881

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

WIKIPEDIA

SUVOREXANT

Created by admin on Fri Dec 15 16:07:42 UTC 2023 , Edited by admin on Fri Dec 15 16:07:42 UTC 2023

PRIMARY

Related Record Type Details


					AD890S9AKZ

OREXIN RECEPTOR TYPE 2

TARGET -> INHIBITOR


					5D3S2VQZ54

SUVOREXANT HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:


					D8K8NA4KCA

OREXIN RECEPTOR TYPE 1

TARGET -> INHIBITOR


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					081I12ZA58

CYTOCHROME P450 2C19

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR

Related Record Type Details


					BQ3ZED7JDX

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

METABOLITE -> PARENT

Comments:

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

Qualification:

FECAL; PLASMA


					G8R68A764K

3-(((7R)-4-(5-CHLORO-1,3-BENZOXAZOL-2-YL)-7-METHYL-1,4-DIAZEPAN-1-YL)CARBONYL)-4-(2H-1,2,3-TRIAZOL-2-YL)BENZOIC ACID

METABOLITE -> PARENT

Comments:

M4 was the minor metabolite in plasma, but M4 was the major metabolite in urine and feces, accounting for 4.1% and 17.0% of the dose, respectively.

Qualification:

FECAL; PLASMA; URINE

Amount:


					85BCK54NR7

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

METABOLITE -> PARENT

Qualification:

PLASMA

Amount:


					V5V4BX93AT

(3-(((7R)-4-(5-CHLORO-1,3-BENZOXAZOL-2-YL)-7-METHYL-1,4-DIAZEPAN-1-YL)CARBONYL)-4-(2H-1,2,3-TRIAZOL-2-YL)PHENYL)METHANOL

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

PLASMA

Amount:


					7Z8T8DJW5C

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

METABOLITE -> PARENT

Interaction Type:

MINOR

Qualification:

PLASMA

Amount:


					63UD4J2NG8

(2S,3S,4S,5R,6R)-6-(((5S)-1-(5-CHLORO-1,3-BENZOXAZOL-2-YL)-4-(5-METHYL-2-(TRIAZOL-2-YL)BENZOYL)-1,4-DIAZEPAN-5-YL)METHOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

METABOLITE -> PARENT

Comments:

In plasma, M12 was the minor metabolite. In urine, M12 was accounted for 2.7% of the dose.

Qualification:

PLASMA; URINE

Related Record Type Details


					081L192FO9

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Tmax	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC