Chemical Properties
storage temp. | 2-8°C, sealed |
solubility | Water |
InChI | InChI=1S/C13H19NO4S.Na/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);/q;+1/p-1 |
InChIKey | QCCCFHDTBTUDEA-UHFFFAOYSA-M |
SMILES | [Na+].C([O-])(=O)C1=CC=C(S(N(CCC)CCC)(=O)=O)C=C1 |
CAS DataBase Reference | 23795-03-1 |
Safety Information
Toxicity | LD50 in mice (mg/kg): 458 i.v., 1156 s.c., 1666 orally; in rats (mg/kg): 394 i.p., 611 s.c., 1604 orally (McKinney) |