Valbenazine

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H38N2O4
Molecular Weight	418.5695
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Valbenazine

Structure Search

SMILES

[H][C@]12C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CCC3=CC(OC)=C(OC)C=C23

InChI

InChIKey=GEJDGVNQKABXKG-CFKGEZKQSA-N

InChI=1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H38N2O4
Molecular Weight	418.5695
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:31:19 UTC 2023` Edited by `admin` on `Sat Dec 16 01:31:19 UTC 2023`
Record UNII	54K37P50KH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Valbenazine

Official Name

English

MT-5199

Common Name

English

VALBENAZINE [MI]

Common Name

English

NBI-98854

Code

English

Valbenazine [WHO-DD]

Common Name

English

valbenazine [INN]

Common Name

English

(2R,3R,11BR)-9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1,3,4,6,7,11B-HEXAHYDRO-2H- BENZO(A)QUINOLIZIN-2-YL L-VALINATE

Common Name

English

L-Valine (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-yl ester

Systematic Name

English

VALBENAZINE [USAN]

Common Name

English

INGREZZA

Brand Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

608317

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

WHO-ATC

N07XX13

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

NDF-RT

N0000190856

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

FDA ORPHAN DRUG

875022

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

Code System Code Type Description

CAS

1025504-69-1

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

CAS

2401901-99-1

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

CAS

2402736-23-4

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

RXCUI

1918219

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

PRIMARY

DAILYMED

54K37P50KH

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

PRIMARY

PUBCHEM

24795069

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

PRIMARY

ChEMBL

CHEMBL2364639

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

PRIMARY

DRUG BANK

DB11915

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

PRIMARY

CAS

1025504-45-3

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

PRIMARY

INN

9744

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

PRIMARY

MERCK INDEX

m11996

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

PRIMARY

EVMPD

SUB182496

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

PRIMARY

DRUG CENTRAL

5227

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

PRIMARY

NCI_THESAURUS

C152815

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

PRIMARY

FDA UNII

54K37P50KH

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

PRIMARY

WIKIPEDIA

Valbenazine

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

PRIMARY

USAN

ZZ-85

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

PRIMARY

EPA CompTox

DTXSID801026306

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

PRIMARY

SMS_ID

100000168949

Created by admin on Sat Dec 16 01:31:19 UTC 2023 , Edited by admin on Sat Dec 16 01:31:19 UTC 2023

PRIMARY

Related Record Type Details


					54K37P50KH

EXCRETED UNCHANGED

Qualification:

FECAL

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE


					BPFII2BY4U

SYNAPTIC VESICULAR AMINE TRANSPORTER

TARGET -> INHIBITOR

Comments:

VMAT2 inhibitors that cause reversible reduction of dopamine release at the presynaptic nerve terminal by selectively inhibiting presynaptic VMAT2.

Interaction Type:

BINDING

Qualification:

Ki

Amount:


					5SML1T733B

Valbenazine tosylate

SALT/SOLVATE -> PARENT

Amount:


					54K37P50KH

EXCRETED UNCHANGED

Qualification:

URINE

Amount:


					2VXT34O9XO

Valbenazine dihydrochloride

SALT/SOLVATE -> PARENT

Amount:


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:

Related Record Type Details


					AY9I4R7D1F

METABOLITE LESS ACTIVE -> PARENT

Amount:


					IFRYDMLSGE

(+)-α-Dihydrotetrabenazine

METABOLITE ACTIVE -> PRODRUG


					U468L2N9ZU

METABOLITE LESS ACTIVE -> PARENT

Related Record Type Details


					IFRYDMLSGE

(+)-α-Dihydrotetrabenazine

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC