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Trimebutine Structure

Trimebutine

Chemical Properties

Melting point 78-80°C
Boiling point 513.42°C (rough estimate)
Density  1.1998 (rough estimate)
refractive index  1.5614 (estimate)
storage temp.  2-8°C
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Very Slightly)
pka 7.29±0.50(Predicted)
form  Solid
color  White to Off-White
Water Solubility  10g/L
Merck  14,9699
Major Application forensics and toxicology
pharmaceutical (small molecule)
veterinary
InChI 1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3
InChIKey LORDFXWUHHSAQU-UHFFFAOYSA-N
SMILES CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c2ccccc2
CAS DataBase Reference 39133-31-8(CAS DataBase Reference)

Safety Information

WGK Germany  3
HS Code  2922.19.0900
Storage Class 11 - Combustible Solids

Usage And Synthesis

Preparation Products And Raw materials

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