2377379-39-8

Name MRGPRX1 agonist 1
CAS 2377379-39-8
Molecular Formula C23H21N3O4S
MDL Number MFCD32263428
Molecular Weight 435.5
MOL File 2377379-39-8.mol
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Chemical Properties

Boiling point  642.0±65.0 °C(Predicted)
density  1.365±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO : 130 mg/mL (298.51 mM; Need ultrasonic)
form  Solid
pka 8.81±0.10(Predicted)
color  White to yellow
InChI InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25)
InChIKey BWEJNHRMGZUMNU-UHFFFAOYSA-N
SMILES C1(S(NC2=CC=C(C)C=C2OC2C=CC3=C(C=2)C=CN=C3N)(=O)=O)=CC=CC=C1OC

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