| Synonyms |
Herqueline; Herquiline; 4H-5,2-(Iminomethano)-11,7-methenopyrrolo(3,2,1-no)(1)benzazacycloundecine-10,12-dione, 1,2,5,6,8,9,11,11a,13,14,14a,14b-dodecahydro-16-methyl-, (2R*,5R*,11S*,11aS*,14aS*,14bR*)-(-)- |
| IUPAC Name |
(2S,3R,7R,8R,14S,17S)-15-methyl-1,15-diazapentacyclo[12.3.1.13,17.18,12.02,7]icos-12(20)-ene-6,9-dione |
| Molecular Weight |
314.42 |
| Molecular Formula |
C19H26N2O2 |
| Canonical SMILES |
CN1CC2CC3CCC(=O)C4C3N2CC1CC5=CC4C(=O)CC5 |
| InChI |
InChI=1S/C19H26N2O2/c1-20-9-14-8-12-3-5-17(23)18-15-7-11(2-4-16(15)22)6-13(20)10-21(14)19(12)18/h7,12-15,18-19H,2-6,8-10H2,1H3/t12-,13+,14+,15+,18+,19+/m1/s1 |
| InChIKey |
UFKNDVKQCSBIQE-OCANJJRCSA-N |
| Boiling Point |
499.5±45.0°C at 760 mmHg |
| Melting Point |
171-174°C (dec.) |
| Flash Point |
225.1±21.1 °C |
| Purity |
≥98% |
| Density |
1.3±0.1 g/cm3 |
| Solubility |
Soluble in DMSO, Methanol, Ethanol |
| Appearance |
Crystal |
| Storage |
Store at -20°C |
| Complexity |
598 |
| Exact Mass |
314.199428076 |
| Index Of Refraction |
1.613 |
| Target |
Influenza Virus |
| Vapor Pressure |
0.0±1.3 mmHg at 25°C |
| XLogP3-AA |
0.7 |
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