MRGPRX1 agonist 1
Bezeichnung:MRGPRX1 agonist 1
CAS-Nr2377379-39-8
Englisch Name:MRGPRX1 agonist 1
CBNumberCB18054464
SummenformelC23H21N3O4S
Molgewicht435.5
MOL-Datei2377379-39-8.mol
MRGPRX1 agonist 1 physikalisch-chemischer Eigenschaften
| Siedepunkt | 642.0±65.0 °C(Predicted) |
| Dichte | 1.365±0.06 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| Löslichkeit | DMSO : 130 mg/mL (298.51 mM; Need ultrasonic) |
| pka | 8.81±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | 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 |