diphenhydramine
- CAS:
- Other names:
- SMILES: CN(C)CCOC(c1ccccc1)c2ccccc2
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 255.35 | 2 | 0 | 3.35 | 12.47 | 6 | 45 | 0.29 | C17H21NO |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| NT_b0148 | None | Jan. 1, 2023 |
Bar codes
| Plate barcode | Sample barcode |
|---|---|
PAINS
| Identified PAINS |
|---|
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
|---|---|---|---|---|---|---|
| [Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin isomeric purity >80 %](1).[diphenhydramine] | 3.70 | 23.0 | phase solubility | Pascal Le Corre 1998 | ||
| [Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin isomeric purity >80 %](1).[diphenhydramine] | 2.95 | 37.0 | phase solubility | Pascal Le Corre 1998 | ||
| [2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[diphenhydramine] | 3.21 | 23.0 | phase solubility | Pascal Le Corre 1998 | ||
| [2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[diphenhydramine] | 2.69 | 37.0 | phase solubility | Pascal Le Corre 1998 | ||