Bosentan (hydrate)

Basic Information

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CAS Number

157212-55-0

Molecular Formula

C27H31N5O7S

Molecular Weight

569.64 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

111-113°C

Boiling Point

742.3°C at 760 mmHg

SMILES

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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.O

InChI

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

InChIKey

SXTRWVVIEPWAKM-UHFFFAOYSA-N

LogP

3.3792000000000026

Topological Polar Surface Area

177.14999999999998 Å²

Hydrogen Bond Donor/Acceptor

4 / 12

Complexity

839

Safety Information

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GHS Hazard Pictograms

H361

Hazard Statement

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Synonyms & References

English

Q326023R30
Ro 47-0203/029
4-(tert-Butyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl)benzenesulfonamid
SMR003500718
Tracleer, Bosentan monohydrate
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide hydrate
Tracleer (TN)
Bosentan (hydrate)
AKOS015897290
Bosentan hydrate
Ro-47-0203/029
CHEBI:31300
BENZENESULFONAMIDE, 4-(1,1-DIMETHYLETHYL)-N-(6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)(2,2'BIPYRIMIDIN)-4-YL)-, MONOHYDRATE
Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-, hydrate (1:1)
BOSENTAN HYDRATE [JAN]
SXTRWVVIEPWAKM-UHFFFAOYSA-N
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide hydrate
FT-0657493
Ro-470203029
bosentan monohydrate
SB17357
HY-A0013A
Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-, hydrate (1:1); Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-, monohydrate (9CI); Bosentan hydrate; Bosentan monohydrate
KS-1231
Bosentan [USAN]
4-(tert-Butyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl)benzenesulfonamide hydrate
CS-1265
UNII-Q326023R30
p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide monohydrate
Bosentan [USAN:INN:BAN]
BOSENTAN MONOHYDRATE [EMA EPAR]

MDL Number

MFCD09751188

FAQ

What is Bosentan (hydrate) (CAS: 157212-55-0)?

Bosentan (hydrate), with the CAS number 157212-55-0, is a medication used primarily to treat pulmonary arterial hypertension. It functions as an endothelin receptor antagonist, blocking the action of endothelin, a substance that causes blood vessels to narrow. Its chemical formula is C20H28N4O4S, and it is a white to off-white crystalline solid with good solubility in water.

What are the main uses of Bosentan (hydrate) (CAS: 157212-55-0)?

Bosentan (hydrate), CAS 157212-55-0, is mainly used in the treatment of pulmonary arterial hypertension (PAH). It helps to relax blood vessels in the lungs, improving blood flow and reducing pressure. Additionally, it is used in research for studying endothelin signaling pathways and in pharmaceutical development for related therapeutic applications.

Is Bosentan (hydrate) (CAS: 157212-55-0) safe?

Bosentan (hydrate), CAS 157212-55-0, is generally considered safe when used as directed under medical supervision. However, like all medications, it may cause side effects such as liver toxicity, edema, and rash. Proper handling and adherence to safety guidelines are essential, especially during storage and administration to ensure its effectiveness and minimize risks.

How should Bosentan (hydrate) (CAS: 157212-55-0) be stored?

Bosentan (hydrate), CAS 157212-55-0, should be stored in a cool, dry place away from direct light. It is typically kept in a sealed container at a temperature between 15°C and 30°C. Maintaining proper humidity levels is important to prevent degradation, and it should be stored out of reach of children to ensure safety and product integrity.