| SpectraBase Spectrum ID |
91eE9BE33Z6 |
| Name |
(S)-3-((S)-8-Ethynyl-6-(2'-Fluorophenyl)-4-Methyl-4H-Benzo-[f]-Imidazo-[1,5-a]-[1,4]-Diazepine-3-Carbonyloxy)-Propyl-8-Ethynyl-6-(2'-Fluorophenyl)-4-Methyl-4H-Benzo-[f]-Imidazo-[1,5-a]-[1,4]-Diazepine-3-Carboxylate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C45H32F2N6O4 |
| InChI |
InChI=1S/C45H32F2N6O4/c1-5-28-16-18-36-32(22-28)38(30-12-7-9-14-34(30)46)50-26(3)42-40(48-24-52(36)42)44(54)56-20-11-21-57-45(55)41-43-27(4)51-39(31-13-8-10-15-35(31)47)33-23-29(6-2)17-19-37(33)53(43)25-49-41/h1-2,7-10,12-19,22-27H,11,20-21H2,3-4H3/t26-,27-/m0/s1 |
| InChIKey |
MSVUJPMXBORQOD-SVBPBHIXSA-N |
| Ionization Type |
EI |
| Molecular Weight |
758.786 g/mol |
| Optical Rotation |
[a]D26 (999 nm) = +13.51 (c = 0.37, CH2Cl2) |
| SMILES |
C(CCOC(=O)c1nc[n]-2c1[C@@](N=C(c1c2ccc(c1)C#C)c1c(cccc1)F)(C)[H])OC(=O)c1nc[n]-2c1[C@@](N=C(c1c2ccc(c1)C#C)c1ccccc1F)(C)[H] |
| SPLASH |
splash10-0006-0901000000-4aa5e85071488aa1685f |
| Source of Spectrum |
US2012295892A1 |
| Wiley ID |
1846702 |
![(S)-3-((S)-8-Ethynyl-6-(2'-Fluorophenyl)-4-Methyl-4H-Benzo-[f]-Imidazo-[1,5-a]-[1,4]-Diazepine-3-Carbonyloxy)-Propyl-8-Ethynyl-6-(2'-Fluorophenyl)-4-Methyl-4H-Benzo-[f]-Imidazo-[1,5-a]-[1,4]-Diazepine-3-Carboxylate](/api/spectrum/91eE9BE33Z6/structure.png?h=300&w=458 "(S)-3-((S)-8-Ethynyl-6-(2'-Fluorophenyl)-4-Methyl-4H-Benzo-[f]-Imidazo-[1,5-a]-[1,4]-Diazepine-3-Carbonyloxy)-Propyl-8-Ethynyl-6-(2'-Fluorophenyl)-4-Methyl-4H-Benzo-[f]-Imidazo-[1,5-a]-[1,4]-Diazepine-3-Carboxylate")
