Bosentan monohydrate (CAS 157212-55-0) — formula C27H31N5O7S, molecular weight 569.6; category organic chemicals.
| CAS Number | 157212-55-0 |
|---|---|
| Molecular Formula | C27H31N5O7S |
| Molecular Weight | 569.6 |
| Category | Organic Chemicals |
Bosentan monohydrate is a carbon-based organic compound with CAS registry number 157212-55-0 and molecular formula C27H31N5O7S (molecular weight 569.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 157212-55-0
Its molecular formula C27H31N5O7S comprises 27 C, 31 H, 5 N, 7 O, 1 S atoms.
Also known as: Bosentan monohydrate · 波生坦一水合物
Category: organic chemicals
The CAS registry number of Bosentan monohydrate is 157212-55-0.
Molecular formula C27H31N5O7S, molecular weight 569.6.
It is also registered under: Bosentan monohydrate, 波生坦一水合物.
Category: Organic Chemicals.
Independent reference data for Bosentan monohydrate (CAS 157212-55-0), compiled from public chemistry databases.
| CAS Registry Number | 157212-55-0 |
|---|---|
| PubChem CID | 185462 |
| Molecular formula | C27H31N5O7S |
| IUPAC name | 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide;hydrate |
| UNII (FDA) | Q326023R30 |
| Molecular Weight | 569.6 |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 11 |
| Exact Mass | 569.19441952 |
| Monoisotopic Mass | 569.19441952 |
| Topological Polar Surface Area | 155 |
| Heavy Atom Count | 40 |
Bosentan hydrate; 157212-55-0; bosentan monohydrate; DTXSID80873178; 4-tert-butyl-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide hydrate; CHEBI:31300; 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide hydrate; RefChem:526848; DTXCID90820678; 4-(tert-Butyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl)benzenesulfonamide hydrate; Bosentan (hydrate); MFCD09751188; Bosentan [USAN]; Bosentan (USAN); Bosentan [USAN:INN:BAN]; Bosentan hydrate (JAN)
| Reported hazard statements | H302 (25%), H312 (16.7%), H315 (25%), H317 (16.7%), H319 (25%), H332 (25%), H335 (16.7%), H361 (58.3%) |
|---|
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Bosentan monohydrate · CAS 157212-55-0 · C27H31N5O7S. UNII Q326023R30.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 波生坦一水合物