NABUMETONE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H16O2
Molecular Weight	228.2863
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NABUMETONE

Structure Search

SMILES

COC1=CC2=C(C=C1)C=C(CCC(C)=O)C=C2

InChI

InChIKey=BLXXJMDCKKHMKV-UHFFFAOYSA-N

InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C15H16O2
Molecular Weight	228.2863
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:47:12 UTC 2023` Edited by `admin` on `Fri Dec 15 15:47:12 UTC 2023`
Record UNII	LW0TIW155Z
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NABUMETONE

Official Name

English

NABUMETONE [VANDF]

Common Name

English

NABUMETONE [USP-RS]

Common Name

English

BRL-14777

Code

English

NABUMETONE [ORANGE BOOK]

Common Name

English

NABUMETONE [JAN]

Common Name

English

NABUMETONE [MART.]

Common Name

English

2-BUTANONE, 4-(6-METHOXY-2-NAPHTHALENYL)-

Systematic Name

English

NABUMETONE [USP MONOGRAPH]

Common Name

English

Nabumetone [WHO-DD]

Common Name

English

NABUMETONE [MI]

Common Name

English

NABUMETONE [EP MONOGRAPH]

Common Name

English

NABUMETONE [USP IMPURITY]

Common Name

English

RELAFEN

Brand Name

English

nabumetone [INN]

Common Name

English

4-(6-Methoxy-2-naphthyl)-2-butanone

Systematic Name

English

NABUMETONE [USAN]

Common Name

English

NSC-758623

Code

English

Classification Tree Code System Code

WHO-ATC

M01AX01

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

FDA ORPHAN DRUG

255207

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

NCI_THESAURUS

C54679

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

WHO-VATC

QM01AX01

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

NDF-RT

N0000000160

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

NDF-RT

N0000175722

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

NCI_THESAURUS

C257

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

NDF-RT

N0000175721

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

LIVERTOX

NBK548909

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

Code System Code Type Description

SMS_ID

100000092274

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

LACTMED

Nabumetone

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

DAILYMED

LW0TIW155Z

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

CHEBI

7443

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

RXCUI

31448

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

RxNorm

RS_ITEM_NUM

1449518

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

NCI_THESAURUS

C47627

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

EVMPD

SUB09107MIG

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

MERCK INDEX

m7698

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

Merck Index

DRUG BANK

DB00461

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

CAS

42924-53-8

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

MESH

C035605

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

INN

4855

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

ChEMBL

CHEMBL1070

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

PUBCHEM

4409

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

EPA CompTox

DTXSID4045472

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

IUPHAR

7245

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

WIKIPEDIA

NABUMETONE

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

FDA UNII

LW0TIW155Z

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

CHEBI

76252

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

NSC

758623

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

DRUG CENTRAL

1863

Created by admin on Fri Dec 15 15:47:12 UTC 2023 , Edited by admin on Fri Dec 15 15:47:12 UTC 2023

PRIMARY

Related Record Type Details


					LW0TIW155Z

BASIS OF STRENGTH->SUBSTANCE

Interaction Type:

ASSAY (HPLC)

Qualification:

EP

Amount:


					LW0TIW155Z

BASIS OF STRENGTH->SUBSTANCE

Interaction Type:

ASSAY (HPLC)

Qualification:

USP

Amount:


					VK4SQL11C0

CYTOCHROME P450 1A2

METABOLIC ENZYME -> SUBSTRATE


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:

Related Record Type Details


					9H7K3YOD7Q

6-METHOXY-2-NAPHTHYLACETIC ACID

METABOLITE -> PARENT


					49OFA35110

6-HYDROXY-.ALPHA.-METHYL-2-NAPHTHALENEPROPANOL

METABOLITE -> PARENT

Qualification:

URINE


					9161F1HY4G

4-(6-HYDROXY-2-NAPHTHALENYL)-2-BUTANONE

METABOLITE -> PARENT

Qualification:

URINE


					9H7K3YOD7Q

6-METHOXY-2-NAPHTHYLACETIC ACID

METABOLITE ACTIVE -> PARENT

Comments:

has anti-inflammatory activity in animals; more potent inhibitor of prostaglandin synthesis than nabumetone

Interaction Type:

MAJOR

Qualification:

PLASMA

Related Record Type Details


					896U9382GJ

1,5-BIS(6-METHOXYNAPHTHALEN-2-YL)PENTAN-3-ONE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					O962DZ1Q5D

5-(6-METHOXYNAPHTHALEN-2-YL)-3-METHYLCYCLOHEX-2-ENONE, (5RS)-

IMPURITY -> PARENT

Comments:

UNSPECIFIED

Qualification:

EP


					X222BJ8VUU

3-(6-METHOXYNAPHTHALEN-2-YL)-5-METHYLCYCLOHEXANONE

IMPURITY -> PARENT

Comments:

UNSPECIFIED

Qualification:

EP


					X222BJ8VUU

3-(6-METHOXYNAPHTHALEN-2-YL)-5-METHYLCYCLOHEXANONE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					0J1W17F0WZ

4-(6-METHOXYNAPHTHALEN-2-YL)BUT-3-EN-2-ONE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					PQZ1W35X4K

6,6'-DIMETHOXY-2,2'-BINAPHTHALENYL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					O962DZ1Q5D

5-(6-METHOXYNAPHTHALEN-2-YL)-3-METHYLCYCLOHEX-2-ENONE, (5RS)-

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					394320Y6J8

NABUMETONE ALCOHOL

IMPURITY -> PARENT

Comments:

UNSPECIFIED

Qualification:

EP


					PQZ1W35X4K

6,6'-DIMETHOXY-2,2'-BINAPHTHALENYL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					394320Y6J8

NABUMETONE ALCOHOL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					0J1W17F0WZ

4-(6-METHOXYNAPHTHALEN-2-YL)BUT-3-EN-2-ONE

IMPURITY -> PARENT

Comments:

UNSPECIFIED

Qualification:

EP


					896U9382GJ

1,5-BIS(6-METHOXYNAPHTHALEN-2-YL)PENTAN-3-ONE

IMPURITY -> PARENT

Comments:

UNSPECIFIED

Qualification:

EP

Related Record Type Details


					LW0TIW155Z

ACTIVE MOIETY

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

Volume of Distribution	PHARMACOKINETIC

Tmax	PHARMACOKINETIC				AT STEADY-STATE ELDERLY PATIENTS ORAL ADMINISTRATION DOSE

Tmax	PHARMACOKINETIC				DOSE ORAL ADMINISTRATION AT STEADY-STATE YOUNG ADULTS