Identification Chemical Properties Hazard Information Supplier

853400-76-7

Name Trofinetide
CAS 853400-76-7
Molecular Formula C13H21N3O6
MDL Number MFCD28502204
Molecular Weight 315.32
MOL File 853400-76-7.mol
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Chemical Properties

Melting point  144 °C
Boiling point  655.4±55.0 °C(Predicted)
density  1.377±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  Methanol (Slightly), Water (Slightly)
form  Solid
pka 3.51±0.10(Predicted)
color  White to Off-White
Stability: Hygroscopic
InChI InChI=1S/C13H21N3O6/c1-13(5-2-6-16(13)9(17)7-14)12(22)15-8(11(20)21)3-4-10(18)19/h8H,2-7,14H2,1H3,(H,15,22)(H,18,19)(H,20,21)/t8-,13-/m0/s1
InChIKey BUSXWGRAOZQTEY-SDBXPKJASA-N
SMILES C(O)(=O)[C@H](CCC(O)=O)NC(=O)[C@]1(C)CCCN1C(=O)CN

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