128-49-4

Name DOCUSATE CALCIUM (500 MG)
CAS 128-49-4
EINECS(EC#) 204-889-8
Molecular Formula C40H74CaO14S2
Molecular Weight 883.215
MOL File 128-49-4.mol
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Chemical Properties

Boiling point  339℃[at 101 325 Pa]
density  1.021[at 20℃]
vapor pressure  0Pa at 20℃
storage temp.  Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility  DMSO (Slightly, Heated), Methanol (Slightly)
form  Solid
color  White to Off-White
Water Solubility  6g/L at 20℃
Stability: Hygroscopic
Major Application pharmaceutical (small molecule)
InChI 1S/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2
InChIKey DWKPZOZZBLWFJX-UHFFFAOYSA-L
SMILES [Ca+2].[S](=O)(=O)([O-])C(CC(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC.[S](=O)(=O)([O-])C(CC(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC
LogP 8.9 at 20℃

Safety Data

WGK Germany  WGK 3
REACH Registrations Active
HS Code  2917197055
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2

Hazard Information

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