| Identification | Back Directory | [Name]
Setmelanotide | [CAS]
1294000-61-5 | [Synonyms]
UCB-0942
Setmelanotide
2-Pyrrolidinone, 4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b]-1,3,4-thiadiazol-5-yl]methyl]-, (4R)- | [Molecular Formula]
C14H14ClF5N4O2S | [MOL File]
1294000-61-5.mol | [Molecular Weight]
432.8 |
| Chemical Properties | Back Directory | [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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