202592-23-2
| Name | 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-triMethyl-, (6S)- |
| CAS | 202592-23-2 |
| Molecular Formula | C19H17ClN4O2S |
| MDL Number | MFCD28167916 |
| Molecular Weight | 400.88 |
| MOL File | 202592-23-2.mol |
Chemical Properties
| Boiling point | 661.6±65.0 °C(Predicted) |
| density | 1.51±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Store in freezer, under -20°C |
| solubility | DMSO:43.92(Max Conc. mg/mL);109.56(Max Conc. mM) DMSO:PBS (pH 7.2) (1:4):0.2(Max Conc. mg/mL);0.5(Max Conc. mM) DMF:20.0(Max Conc. mg/mL);49.89(Max Conc. mM) Ethanol:27.55(Max Conc. mg/mL);68.72(Max Conc. mM) |
| form | A crystalline solid |
| pka | 4.11±0.10(Predicted) |
| color | Off-white to yellow |
| InChI | InChI=1S/C19H17ClN4O2S/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)21-14(8-15(25)26)18-23-22-11(3)24(18)19/h4-7,14H,8H2,1-3H3,(H,25,26)/t14-/m0/s1 |
| InChIKey | LJOSBOOJFIRCSO-AWEZNQCLSA-N |
| SMILES | N12C(C)=NN=C1[C@H](CC(O)=O)N=C(C1=CC=C(Cl)C=C1)C1C(C)=C(C)SC=12 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |