Trepibutone Structure

Trepibutone

Chemical Properties

Melting point 150-151°
Boiling point 370.51°C (rough estimate)
Density  1.1625 (rough estimate)
refractive index  1.4600 (estimate)
pka 4.40±0.17(Predicted)
form  Solid
color  White to off-white
InChI InChI=1S/C16H22O6/c1-4-20-13-10-15(22-6-3)14(21-5-2)9-11(13)12(17)7-8-16(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)
InChIKey YPTFHLJNWSJXKG-UHFFFAOYSA-N
SMILES C1(C(=O)CCC(=O)O)=CC(=C(OCC)C=C1OCC)OCC
CAS DataBase Reference 41826-92-0(CAS DataBase Reference)
FDA UNII H1187LU49Q
ATC code A03AX09

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