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bosentan
(Q419769)
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From Wikidata
chemical compound
RO 47-0203
Tracleer®
p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide
4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamide
bosentan anhydrous
bosentán
Bosentan
bosentanum
edit
Language
Label
Description
Also known as
default for all languages
No label defined
–
English
bosentan
chemical compound
RO 47-0203
Tracleer®
p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide
4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamide
bosentan anhydrous
bosentán
Bosentan
bosentanum
Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
has use
medication
0 references
chemical structure
Bosentan Structural Formula V.1.svg
528 × 310; 27 KB
criterion used
structure representation with labelled terminal carbon atoms
0 references
Bosentan.svg
731 × 487; 5 KB
criterion used
structure representation with unlabelled terminal carbon atoms
0 references
mass
551.183855
dalton
1 reference
stated in
PubChem
PubChem CID
104865
language of work or name
English
title
Bosentan
(English)
retrieved
3 October 2016
chemical formula
C₂₇H₂₉N₅O₆S
1 reference
stated in
PubChem
PubChem CID
104865
language of work or name
English
title
Bosentan
(English)
retrieved
19 November 2016
canonical SMILES
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC
1 reference
stated in
PubChem
PubChem CID
104865
language of work or name
English
title
Bosentan
(English)
retrieved
19 November 2016
defined daily dose
0.25
gram
route of administration
oral administration
1 reference
reference URL
https://www.whocc.no/atc_ddd_index/?code=C02KX01
World Health Organisation international non-proprietary name
bosentan
(English)
1 reference
stated in
ChEBI
ChEBI ID
51450
language of work or name
English
title
bosentan
(English)
retrieved
3 October 2016
medical condition treated
pulmonary hypertension
1 reference
stated in
NDF-RT
NDF-RT ID
N0000148726
language of work or name
English
retrieved
13 December 2016
physically interacts with
Endothelin receptor type B
subject has role
antagonist
1 reference
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
Guide to Pharmacology Ligand ID
3494
language of work or name
English
retrieved
17 August 2016
legal status (medicine)
boxed warning
1 reference
reference URL
https://nctr-crs.fda.gov/fdalabel/ui/spl-summaries/criteria/343802
title
FDA-sourced list of all drugs with black box warnings (Use Download Full Results and View Query links.
(English)
LiverTox likelihood score
LiverTox toxicity likelihood category C
1 reference
stated in
LiverTox
retrieved
8 April 2021
reference URL
https://www.ncbi.nlm.nih.gov/books/n/livertox/Bosentan
last update
30 September 2017
has part(s)
carbon
0 references
hydrogen
0 references
nitrogen
0 references
oxygen
0 references
sulfur
0 references
Identifiers
InChI
InChI=1S/C27H29N5O6S/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)
1 reference
stated in
PubChem
PubChem CID
104865
language of work or name
English
title
Bosentan
(English)
retrieved
19 November 2016
InChIKey
GJPICJJJRGTNOD-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
104865
language of work or name
English
title
Bosentan
(English)
retrieved
19 November 2016
stated in
ChEBI release 2020-09-01
CAS Registry Number
147536-97-8
2 references
stated in
Global Substance Registration System
UNII
XUL93R30K2
language of work or name
English
title
bosentan anhydrous
(English)
retrieved
19 November 2016
InChIKey
GJPICJJJRGTNOD-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=147536-97-8
ChemSpider ID
94651
1 reference
stated in
ChemSpider
ChemSpider ID
94651
language of work or name
English
title
Bosentan
(English)
retrieved
19 November 2016
PubChem CID
104865
2 references
stated in
PubChem
PubChem CID
104865
language of work or name
English
title
Bosentan
(English)
retrieved
19 November 2016
matched by identifier from
InChIKey
InChIKey
GJPICJJJRGTNOD-UHFFFAOYSA-N
ChEBI ID
51450
mapping relation type
exact match
2 references
stated in
ChEMBL
ChEMBL ID
CHEMBL957
language of work or name
English
title
BOSENTAN
(English)
retrieved
19 November 2016
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C27H29N5O6S/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)
ChEMBL ID
CHEMBL957
1 reference
stated in
ChEMBL
ChEMBL ID
CHEMBL957
language of work or name
English
title
BOSENTAN
(English)
retrieved
19 November 2016
SureChEMBL ID
SCHEMBL4218
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GJPICJJJRGTNOD-UHFFFAOYSA-N
UniChem compound ID
70449
1 reference
stated in
UniChem
MassBank accession ID
SM851503
0 references
SM851552
0 references
SPLASH
splash10-0udj-0810090000-b97444dff91ec725276d
0 references
DSSTox substance ID
DTXSID7046627
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
GJPICJJJRGTNOD-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID5026627
0 references
LiverTox ID
Bosentan
0 references
EC number
643-099-1
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.171.206
retrieved
27 December 2018
title
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide
(English)
quotation
CAS no.: 147536-97-8
(English)
ECHA Substance Infocard ID
100.171.206
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.171.206
retrieved
27 December 2018
title
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide
(English)
quotation
CAS no.: 147536-97-8
(English)
ATC code
C02KX01
1 reference
stated in
DrugBank
DrugBank ID
DB00559
language of work or name
English
title
Bosentan
(English)
publication date
17 November 2015
Guide to Pharmacology Ligand ID
3494
1 reference
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
Guide to Pharmacology Ligand ID
3494
language of work or name
English
title
bosentan
(English)
retrieved
19 November 2016
MeSH descriptor ID
D000077300
subject named as
Bosentan
0 references
MeSH concept ID
M0585634
0 references
MeSH tree code
D02.065.884.060.005
0 references
D02.886.590.700.143
0 references
D03.383.742.060
0 references
D02.455.426.559.389.085.005
0 references
D02.886.590.700.090.005
0 references
RxNorm ID
1468845
1 reference
stated in
Global Substance Registration System
UNII
XUL93R30K2
language of work or name
English
title
bosentan anhydrous
(English)
retrieved
19 November 2016
DrugBank ID
DB00559
1 reference
matched by identifier from
InChIKey
InChIKey
GJPICJJJRGTNOD-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0014699
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GJPICJJJRGTNOD-UHFFFAOYSA-N
UNII
XUL93R30K2
2 references
stated in
Global Substance Registration System
UNII
XUL93R30K2
language of work or name
English
title
bosentan anhydrous
(English)
retrieved
19 November 2016
matched by identifier from
InChIKey
InChIKey
GJPICJJJRGTNOD-UHFFFAOYSA-N
MedlinePlus drug identifier
a605001
0 references
PatientsLikeMe treatment ID
bosentan
0 references
NDF-RT ID
N0000148726
1 reference
stated in
NDF-RT
NDF-RT ID
N0000148726
language of work or name
English
title
BOSENTAN
(English)
retrieved
19 January 2016
Probes And Drugs ID
PD009964
0 references
DrugCentral ID
392
1 reference
stated in
UniChem
KEGG ID
D07538
1 reference
stated in
ChEBI
ChEBI ID
51450
language of work or name
English
title
bosentan
(English)
retrieved
3 October 2016
PDB ligand ID
K86
0 references
DeCS ID
57600
0 references
Freebase ID
/m/08bh5_
1 reference
stated in
Freebase Data Dumps
publication date
28 October 2013
Microsoft Academic ID
2781109936
0 references
OpenAlex ID
C2781109936
1 reference
stated in
OpenAlex
retrieved
26 January 2022
reference URL
https://docs.openalex.org/download-snapshot/snapshot-data-format
UMLS CUI
C2825457
1 reference
stated in
WikiUMLS: Aligning UMLS to Wikipedia via Cross-lingual Neural Ranking
WikiProjectMed ID
Bosentan
0 references
Sitelinks
Wikipedia
(19 entries)
edit
arwiki
بوسنتان
cywiki
Bosentan
dewiki
Bosentan
enwiki
Bosentan
eswiki
Bosentán
fawiki
بوسنتان
fiwiki
Bosentaani
frwiki
Bosentan
idwiki
Bosentan
itwiki
Bosentan
jawiki
ボセンタン
nlwiki
Bosentan
orwiki
ବୋସେଣ୍ଟାନ
plwiki
Bosentan
shwiki
Bosentan
srwiki
Bosentan
tewiki
బోసెంటాన్
trwiki
Bosentan
viwiki
Bosentan
Wikibooks
(0 entries)
edit
Wikinews
(0 entries)
edit
Wikiquote
(0 entries)
edit
Wikisource
(0 entries)
edit
Wikiversity
(0 entries)
edit
Wikivoyage
(0 entries)
edit
Wiktionary
(0 entries)
edit
Multilingual sites
(0 entries)
edit
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