BOSENTAN

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H29N5O6S.H2O
Molecular Weight	569.629
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BOSENTAN

Structure Search

SMILES

O.COC1=CC=CC=C1OC2=C(OCCO)N=C(N=C2NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C4=NC=CC=N4

InChI

InChIKey=SXTRWVVIEPWAKM-UHFFFAOYSA-N

InChI=1S/C27H29N5O6S.H2O/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24;/h5-15,33H,16-17H2,1-4H3,(H,30,31,32);1H2

HIDE SMILES / InChI

Molecular Formula	C27H29N5O6S
Molecular Weight	551.614
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
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 15:33:54 UTC 2023` Edited by `admin` on `Fri Dec 15 15:33:54 UTC 2023`
Record UNII	Q326023R30
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BOSENTAN

Official Name

English

BOSENTAN [USP-RS]

Common Name

English

BOSENTAN MONOHYDRATE [MI]

Common Name

English

RO-47-0203-029

Code

English

P-TERT-BUTYL-N-(6-(2-HYDROXYETHOXY)-5-(O-METHOXYPHENOXY)-2-(2-PYRIMIDINYL)-4-PYRIMIDINYL)BENZENESULFONAMIDE MONOHYDRATE

Common Name

English

BOSENTAN [USAN]

Common Name

English

BOSENTAN MONOHYDRATE [EMA EPAR]

Common Name

English

RO 47-0203/029

Code

English

RO-470203029

Code

English

TRACLEER

Brand Name

English

BENZENESULFONAMIDE, 4-(1,1-DIMETHYLETHYL)-N-(6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)(2,2'BIPYRIMIDIN)-4-YL)-, MONOHYDRATE

Systematic Name

English

BOSENTAN [VANDF]

Common Name

English

BOSENTAN HYDRATE [JAN]

Common Name

English

BOSENTAN [ORANGE BOOK]

Common Name

English

Bosentan monohydrate [WHO-DD]

Common Name

English

BOSENTAN MONOHYDRATE

Common Name

English

BOSENTAN HYDRATE

Common Name

English

RO-47-0203/029

Code

English

Classification Tree Code System Code

NDF-RT

N0000175581

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

WHO-VATC

QC02KX01

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

FDA ORPHAN DRUG

134200

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

LIVERTOX

NBK547999

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

EMA ASSESSMENT REPORTS

STAYVEER (AUTHORIZED SCLERODERMA, SYSTEMIC

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

WHO-ATC

C02KX01

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

EMA ASSESSMENT REPORTS

TRACLEER (AUTHORIZED: PLUMONARY HYPERTENSION, SYSTEMATIC SCLERODERMA)

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

FDA ORPHAN DRUG

267608

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

FDA ORPHAN DRUG

292209

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

EU-Orphan Drug

EU/3/03/139

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

Code System Code Type Description

MERCK INDEX

m2625

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

Merck Index

CAS

157212-55-0

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

LACTMED

Bosentan

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

PUBCHEM

185462

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

RXCUI

498193

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

ALTERNATIVE

USAN

HH-16

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

RS_ITEM_NUM

1076115

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

EVMPD

SUB22249

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

DAILYMED

Q326023R30

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

SMS_ID

100000091512

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

IUPHAR

3494

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

EPA CompTox

DTXSID80873178

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

WIKIPEDIA

BOSENTAN

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

CHEBI

51450

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

RXCUI

75207

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

DRUG CENTRAL

392

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

FDA UNII

Q326023R30

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

MESH

C086232

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

NCI_THESAURUS

C47417

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

DRUG BANK

DB00559

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

ChEMBL

CHEMBL957

Created by admin on Fri Dec 15 15:33:54 UTC 2023 , Edited by admin on Fri Dec 15 15:33:54 UTC 2023

PRIMARY

Related Record Type Details


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					XUL93R30K2

BOSENTAN ANHYDROUS

PARENT -> SALT/SOLVATE


					0ZGFTBKJ9A

SODIUM/BILE ACID COTRANSPORTER

TRANSPORTER -> INHIBITOR


					XUL93R30K2

BOSENTAN ANHYDROUS

ANHYDROUS->SOLVATE

Related Record Type Details


					SLW8S7AP2H

4,6-DICHLORO-5-(2-METHOXYPHENOXY)-2,2'-BIPYRIMIDINE

IMPURITY -> PARENT

Amount:


					E37Q2R85EY

1,2-BIS((6-(4-(TERT-BUTYL)PHENYLSULFONAMIDO)-5-(2-METHOXYPHENOXY)-(2,2'-BIPYRIMIDIN)-4-YL)OXY)ETHANE

IMPURITY -> PARENT


					6ZB6RG7BMX

N-(6-CHLORO-5-(2-METHOXYPHENOXY)(2,2'-BIPYRIMIDIN)-4-YL)-4-(1,1-DIMETHYLETHYL)BENZENESULFONAMIDE

IMPURITY -> PARENT

Amount:


					9B7A5GJ8V8

O-DESHYDROXYETHYL BOSENTAN

IMPURITY -> PARENT

Amount:

Related Record Type Details


					XUL93R30K2

BOSENTAN ANHYDROUS

ACTIVE MOIETY

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

Volume of Distribution	PHARMACOKINETIC