Thelin
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.
Identifiers
CAS number
210421-74-2SMILES
Cc1cc2OCOc2cc1CC(=O)c1sccc1S(=O)(=O)[N-]c1onc(C)c1Cl.[Na+]InChIKey
MDTNUYUCUYPIHE-UHFFFAOYSA-NInChI
InChI=1S/C18H14ClN2O6S2.Na/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18;/h3-5,7H,6,8H2,1-2H3;/q-1;+1Weigh it out
Type any one amount. The others follow from the molar mass.
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