Identification Chemical Properties Hazard Information Supplier

1294000-61-5

Name Setmelanotide
CAS 1294000-61-5
Molecular Formula C14H14ClF5N4O2S
Molecular Weight 432.8
MOL File 1294000-61-5.mol
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Chemical Properties

density  1.69±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO : 100 mg/mL (231.05 mM);Water : < 0.1 mg/mL (insoluble)
form  Solid
pka -1.44±0.40(Predicted)
color  White to off-white
InChI InChI=1S/C14H14ClF5N4O2S/c1-26-6-9-22-24-8(11(14(18,19)20)21-12(24)27-9)5-23-4-7(2-10(23)25)3-13(15,16)17/h7H,2-6H2,1H3/t7-/m1/s1
InChIKey DCXFIOLWWRXEQH-SSDOTTSWSA-N
SMILES N1(CC2N3N=C(COC)SC3=NC=2C(F)(F)F)C[C@@H](CC(Cl)(F)F)CC1=O

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