Bosentan monohydrate

CAS Registry Number®

157212-55-0

CAS Name

Bosentan monohydrate

Molecular Formula

C27H29N5O6S.H2O

Cite this Page

Bosentan monohydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=157212-55-0 (retrieved 2024-11-24) (CAS RN: 157212-55-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    114-118 °C

Source(s)

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

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