CONIVAPTAN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H26N4O2
Molecular Weight	498.5744
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CONIVAPTAN

Structure Search

SMILES

CC1=NC2=C(N1)C3=C(C=CC=C3)N(CC2)C(=O)C4=CC=C(NC(=O)C5=C(C=CC=C5)C6=CC=CC=C6)C=C4

InChI

InChIKey=IKENVDNFQMCRTR-UHFFFAOYSA-N

InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)

HIDE SMILES / InChI

Molecular Formula	C32H26N4O2
Molecular Weight	498.5744
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 `Sat Dec 16 16:17:43 UTC 2023` Edited by `admin` on `Sat Dec 16 16:17:43 UTC 2023`
Record UNII	0NJ98Y462X
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CONIVAPTAN

Official Name

English

(1,1'-BIPHENYL)-2-CARBOXAMIDE, N-(4-((4,5-DIHYDRO-2-METHYLIMIDAZO(4,5-D)(1)BENZAZEPIN-6(1H)-YL)CARBONYL)PHENYL)-

Systematic Name

English

4''-((4,5-DIHYDRO-2-METHYLIMIDAZO(4,5-D)(1)BENZAZEPIN-6(1H)-YL)CARBONYL)-2-BIPHENYLCARBOXANILIDE

Common Name

English

CONIVAPTAN [VANDF]

Common Name

English

conivaptan [INN]

Common Name

English

CONIVAPTAN [MI]

Common Name

English

Conivaptan [WHO-DD]

Common Name

English

Classification Tree Code System Code

NDF-RT

N0000009945

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

WHO-ATC

C03XA02

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

WHO-VATC

QC03XA02

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

NDF-RT

N0000178376

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

NCI_THESAURUS

C2180

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID80175220

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

PRIMARY

EVMPD

SUB32706

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

PRIMARY

DRUG CENTRAL

732

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

PRIMARY

SMS_ID

100000125945

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

PRIMARY

CAS

210101-16-9

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

PRIMARY

MESH

C106389

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

PRIMARY

WIKIPEDIA

CONIVAPTAN

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

PRIMARY

RXCUI

302285

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

PRIMARY

RxNorm

FDA UNII

0NJ98Y462X

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

PRIMARY

IUPHAR

2203

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

PRIMARY

INN

7947

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

PRIMARY

DAILYMED

0NJ98Y462X

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

PRIMARY

MERCK INDEX

m3761

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

PRIMARY

Merck Index

ChEMBL

CHEMBL1755

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

PRIMARY

NCI_THESAURUS

C74428

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

PRIMARY

PUBCHEM

151171

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

PRIMARY

DRUG BANK

DB00872

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

PRIMARY

CHEBI

681850

Created by admin on Sat Dec 16 16:17:44 UTC 2023 , Edited by admin on Sat Dec 16 16:17:44 UTC 2023

PRIMARY

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PLASMA PROTEIN FRACTION (HUMAN)

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Interaction Type:

BINDING

Amount:


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CONIVAPTAN HYDROCHLORIDE

SALT/SOLVATE -> PARENT


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CYTOCHROME P450 3A4

METABOLIC ENZYME -> INHIBITOR

Qualification:

IC50

Amount:


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MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> INHIBITOR


					0NJ98Y462X

EXCRETED UNCHANGED

Comments:

There was no quantitative assessment for conivaptan and its metabolites in fecal excretion.

Interaction Type:

AMOUNT EXCRETED

Qualification:

URINE

Amount:


					BZF1LA2VYG

VASOPRESSIN V2 RECEPTOR

TARGET -> INHIBITOR


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Related Record Type Details


					0PV9WWR4K0

N-(4-(2-(HYDROXYMETHYL)-4,5-DIHYDRO-1H-IMIDAZO(4,5-D)(1)BENZAZEPINE-6-CARBONYL)PHENYL)-2-PHENYLBENZAMIDE

METABOLITE -> PARENT


					G8W8FN5QF4

4-HYDROXY-CONIVAPTAN

METABOLITE -> PARENT


					26Q5WF9UVC

4-(((1,1'-BIPHENYL)-2-YLCARBONYL)AMINO)BENZOIC ACID

METABOLITE -> PARENT


					57YIT85MYI

N-(4-(4-HYDROXY-2-METHYL-4,5-DIHYDRO-1H-IMIDAZO(4,5-D)(1)BENZAZEPINE-6-CARBONYL)PHENYL)-2-PHENYL-BENZAMIDE

METABOLITE -> PARENT

Related Record Type Details


					0NJ98Y462X

ACTIVE MOIETY

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