Molecule ID: 23663963

IUPAC Name: sodium;3-ethyl-7-propan-2-ylazulene-1-sulfonate

Description: The molecule is an organic sodium salt having 3-ethyl-7-isopropylazulene-1-sulfonate as the counterion. Used for treatment of gastric ulcers. It has a role as an anti-ulcer drug and a thromboxane A2 antagonist. It is an organosulfonate salt and an organic sodium salt. It contains an egualen(1-).

SMILES: CCc1cc(S(=O)(=O)[O-])c2cc(C(C)C)cccc1-2.[Na+]

SELFIES: [C][C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][P][Ring1][#Branch2].[Na+1]

InChI: InChI=1S/C15H18O3S.Na/c1-4-11-9-15(19(16,17)18)14-8-12(10(2)3)6-5-7-13(11)14;/h5-10H,4H2,1-3H3,(H,16,17,18);/q;+1/p-1

Molecular Properties:
- Polar Surface Area: 65.6 Ų
- LogP: nan