TOLVAPTAN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C26H25ClN2O3
Molecular Weight	448.941
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TOLVAPTAN

Structure Search

SMILES

CC1=CC=CC=C1C(=O)NC2=CC(C)=C(C=C2)C(=O)N3CCCC(O)C4=C3C=CC(Cl)=C4

InChI

InChIKey=GYHCTFXIZSNGJT-UHFFFAOYSA-N

InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)

HIDE SMILES / InChI

Molecular Formula	C26H25ClN2O3
Molecular Weight	448.941
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:26:46 UTC 2023` Edited by `admin` on `Fri Dec 15 15:26:46 UTC 2023`
Record UNII	21G72T1950
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TOLVAPTAN

Official Name

English

TOLVAPTAN [ORANGE BOOK]

Common Name

English

OPC-41061

Code

English

TOLVAPTAN [MART.]

Common Name

English

JINARC

Brand Name

English

SAMSCA

Brand Name

English

JYNARQUE

Brand Name

English

tolvaptan [INN]

Common Name

English

(±)-4'-((7-CHLORO-2,3,4,5-TETRAHYDRO-5-HYDROXY-1H-1-BENZAZEPIN-1-YL) CARBONYL)-O-TOLU-M-TOLUIDIDE

Common Name

English

OPC-41061(TOLVAPTAN)

Code

English

TOLVAPTAN [EMA EPAR]

Common Name

English

BENZAMIDE, N-(4-((7-CHLORO-2,3,4,5-TETRAHYDRO-5-HYDROXY-1H-1-BENZAZEPIN-1-YL)CARBONYL)-3-METHYLPHENYL)-2-METHYL-

Systematic Name

English

TOLVAPTAN [MI]

Common Name

English

TOLVAPTAN [VANDF]

Common Name

English

TOLVAPTAN [JAN]

Common Name

English

Tolvaptan [WHO-DD]

Common Name

English

TOLVAPTAN [USAN]

Common Name

English

Classification Tree Code System Code

LIVERTOX

NBK548503

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

WHO-ATC

C03XA01

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

EMA ASSESSMENT REPORTS

SAMSCA (AUTHORIZED: INAPPROPRIATE ADH SYNDROME)

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

WHO-VATC

QC03XA01

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

EMA ASSESSMENT REPORTS

JINARC (AUTHORIZED: POLYCYSTIC KIDNEY, AUTOSOMAL DOMINANT)

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

FDA ORPHAN DRUG

347311

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

NDF-RT

N0000193181

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

NCI_THESAURUS

C2180

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

EU-Orphan Drug

EU/3/13/1175

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

Code System Code Type Description

USAN

LL-16

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

PRIMARY

EVMPD

SUB22755

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

PRIMARY

SMS_ID

100000091683

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

PRIMARY

DRUG BANK

DB06212

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

PRIMARY

ChEMBL

CHEMBL344159

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

PRIMARY

DAILYMED

21G72T1950

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

PRIMARY

WIKIPEDIA

Tolvaptan

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

PRIMARY

DRUG CENTRAL

4110

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

PRIMARY

CAS

150683-30-0

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

PRIMARY

EPA CompTox

DTXSID3048780

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

PRIMARY

NCI_THESAURUS

C77082

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

PRIMARY

MERCK INDEX

m10969

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

PRIMARY

Merck Index

HSDB

8196

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

PRIMARY

INN

7969

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

PRIMARY

FDA UNII

21G72T1950

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

PRIMARY

RXCUI

358257

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

PRIMARY

RxNorm

PUBCHEM

216237

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

PRIMARY

IUPHAR

2226

Created by admin on Fri Dec 15 15:26:46 UTC 2023 , Edited by admin on Fri Dec 15 15:26:46 UTC 2023

PRIMARY

Related Record Type Details


					21G72T1950

TOLVAPTAN

EXCRETED UNCHANGED

Interaction Type:

AMOUNT EXCRETED

Qualification:

FECAL

Amount:


					Y4P6WS9QVF

TOLVAPTAN PHOSPHATE SODIUM

SALT/SOLVATE -> PARENT

Amount:


					1E2497LPNY

TOLVAPTAN, (R)-

ENANTIOMER -> RACEMATE


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					08S1L9V25X

TOLVAPTAN, (S)-

ENANTIOMER -> RACEMATE


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE


					21G72T1950

TOLVAPTAN

EXCRETED UNCHANGED

Comments:

After oral administration of labeled tolvaptan the fraction of total radioactivity excreted in urine is 40 %. Less than 1% of the dose is excreted as unchanged tolvaptan.

Interaction Type:

AMOUNT EXCRETED

Qualification:

URINE

Amount:


					BZF1LA2VYG

VASOPRESSIN V2 RECEPTOR

TARGET -> INHIBITOR


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:

Related Record Type Details


					KKA15YGO0M

DM-4132

METABOLITE -> PARENT

Qualification:

FECAL; PLASMA; URINE


					PDW753B41T

DM-4130

METABOLITE -> PARENT

Qualification:

FECAL; URINE


					4U854V7PAG

DM-4128

METABOLITE -> PARENT

Qualification:

MICROSOMAL; PLASMA; URINE


					UD18G27VSS

DM-4107

METABOLITE INACTIVE -> PARENT

Interaction Type:

MAJOR

Qualification:

FECAL; MICROSOMAL; PLASMA; URINE


					4FPN1J5KGK

DM-4129

METABOLITE -> PARENT

Qualification:

FECAL; PLASMA; URINE


					BPY7ZR9Q60

DM-4111

METABOLITE -> PARENT

Qualification:

FECAL; MICROSOMAL; PLASMA; URINE


					H7N46Z14YN

DM-4105

METABOLITE -> PARENT

Qualification:

FECAL; MICROSOMAL; PLASMA; URINE


					T0OH2NO4KZ

DM-4110

METABOLITE -> PARENT

Qualification:

FECAL; MICROSOMAL; PLASMA; URINE


					A70ADT1GZD

DM-4131

METABOLITE -> PARENT

Qualification:

FECAL; PLASMA; URINE


					T12CAH3NVK

DM-4119

METABOLITE -> PARENT

Qualification:

FECAL; MICROSOMAL; PLASMA; URINE


					50D1MVM9ID

DM-4104

METABOLITE -> PARENT

Qualification:

FECAL; MICROSOMAL; PLASMA; URINE


					7CN3NDZ56J

DM-4133

METABOLITE -> PARENT

Qualification:

FECAL; URINE

Related Record Type Details


					21G72T1950

TOLVAPTAN

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
NOAEL	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC

NOAEL	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC