136676-91-0
| Name | S-(+)-1-[(4-(Dimethylamino)-3-methylphenyl)methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid hydrate di(trifluoroacetate) salt |
| CAS | 136676-91-0 |
| Molecular Formula | C31H32N4O32C2HF3O2 |
| MDL Number | MFCD11046022 |
| Molecular Weight | 622.65 |
| MOL File | 136676-91-0.mol |
Chemical Properties
| storage temp. | 2-8°C |
| solubility | H2O: soluble10mg/mL, clear |
| form | powder |
| color | White to yellow |
| Water Solubility | Soluble to 100 mM in water |
| InChIKey | PTSUEYBWHKDYBS-FPCIESGBSA-N |
| SMILES | O.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)c1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c4ccccc4)c5ccccc5)cc1C |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |