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1294000-61-5

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1294000-61-5 Structure

1294000-61-5 Structure
IdentificationBack 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 PropertiesBack 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
Hazard InformationBack Directory
[storage]

Store at -20°C
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