| NACRES | NA.77 |
|---|---|
| PubChem Substance ID | 24895961 |
| UNSPSC Code | 12352200 |
| MDL number | MFCD00083180 |
| InChI | 1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1 |
| SMILES string | O=S(OC1=CC=C(C[C@@H](C(N2CCN(C3=CC=CC=C3)CC2)=O)N(C)S(C4=CC=CC5=C4C=CN=C5)(=O)=O)C=C1)(C6=CC=CC7=C6C=CN=C7)=O |
| InChI key | RJVLFQBBRSMWHX-DHUJRADRSA-N |
| biological source | synthetic (organic) |
| assay | ≥95% |
| form | powder |
| color | yellow |
| mp | 130 °C |
| solubility | 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.93 mg/mL |
| storage temp. | −20°C |
| Quality Level | 200 |
| Gene Information | human ... P2RX7(5027) |
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