| UNSPSC Code | 51111800 |
|---|---|
| PubChem Substance ID | 329825997 |
| NACRES | NA.77 |
| Web Name Suffix Override | ≥98% (HPLC), PAD4 inhibitor, powder |
| form | powder |
| SMILES string | [H]Cl.CN1C(C2=CC(C=CC=C3)=C3N2CC4CC4)=NC5=C1C(OC)=CC(C(N6C[C@H](N)[C@H](O)CC6)=O)=C5 |
| InChI | 1S/C27H31N5O3.ClH/c1-30-25-20(11-18(13-24(25)35-2)27(34)31-10-9-23(33)19(28)15-31)29-26(30)22-12-17-5-3-4-6-21(17)32(22)14-16-7-8-16;/h3-6,11-13,16,19,23,33H,7-10,14-15,28H2,1-2H3;1H/t19-,23+;/m0./s1 |
| InChI key | MULKOGJHUZTANI-ADMBKAPUSA-N |
| assay | ≥98% (HPLC) |
| color | white to beige |
| solubility | H2O: 2 mg/mL, clear (warmed) |
| storage temp. | 2-8°C |
| Quality Level | 100 |
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