CAS Registry Number®
157212-55-0
CAS Name
Bosentan monohydrate
Molecular Formula
C27H29N5O6S.H2O
Compound Properties
-
Melting Point (1)
114-118 °C
Source(s)
- (1) Niphade, Navnath C.; Organic Process Research & Development, (2011), 15(6), 1382-1387, CAplus
Other Names and Identifiers
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
InChIKey=SXTRWVVIEPWAKM-UHFFFAOYSA-N
SMILES
O(C=1C(NS(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)=NC(=NC1OCCO)C=3N=CC=CN3)C4=C(OC)C=CC=C4.O
Canonical SMILES
O=S(=O)(NC=1N=C(N=C(OCCO)C1OC=2C=CC=CC2OC)C3=NC=CC=N3)C4=CC=C(C=C4)C(C)(C)C.O
Other Names for this Substance
- 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
- Bosentan hydrate
- Bosentan monohydrate
- Stayveer
