Thelin

C18H14ClN2NaO6S2CAS 210421-74-2476.88 g/mol

OOOSSOON−ONClNa+
AcetalAryl halideEtherKetoneSulfonamide

Properties

Molecular formula
C18H14ClN2NaO6S2
Molar mass
476.88 g/mol
Exact mass
475.9880 Da
logP
3.58Crippen estimate
Polar surface area
107.7 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
210421-74-2
SMILES
Cc1cc2OCOc2cc1CC(=O)c1sccc1S(=O)(=O)[N-]c1onc(C)c1Cl.[Na+]

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

6 names
  • 3-Thiophenesulfonamide, N-(4-chloro-3-methyl-5-isoxazolyl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]-, sodium salt (1:1)
  • 3-Thiophenesulfonamide, N-(4-chloro-3-methyl-5-isoxazolyl)-2-[(6-methyl-1,3-benzodioxol-5-yl)acetyl]-, sodium salt
  • 4-Chloro-3-methyl-5-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]-3-thienylsulfonamido]isoxazole sodium salt
  • Sitaxentan sodium
  • TBC 11251 sodium salt
  • TBC 11251z

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