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Chemical structure of Sitaxentan sodium

GC17769

Sitaxentan sodium

Also known as sodium (4-chloro-3-methyl-1,2-oxazol-5-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide

Sitaxentan sodium is a selective endothelin A receptor (ETA) antagonist (IC50 = 1·4 nM; Ki = 0·43nM)

ChemicalCAS210421-74-2MW476.89FormulaC18H14ClN2NaO6S2
CAS number
210421-74-2
Molecular weight
476.89
Formula
C18H14ClN2NaO6S2
Solubility
≥ 23·8mg/mL in DMSO
InChIKey
MDTNUYUCUYPIHE-UHFFFAOYSA-N
Catalogue number
GC17769
Brand
GLPBIO
Computed properties PubChem CID 11477084 · TPSA 133 Ų · H-bond donors 0 · H-bond acceptors 9
TPSA
133 Ų
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
30

SMILES CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)[N-]C4=C(C(=NO4)C)Cl)OCO2.[Na+]

Computed descriptors from PubChem (CID 11477084), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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