cimetidine
- CAS:
- Other names:
- SMILES: CN=C(NCCSCc1nc[nH]c1C)NC#N
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 252.34 | 6 | 3 | 1.38 | 114.19 | 7 | 85 | 0.50 | C10H16N6S |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C32 | 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 |
|---|---|---|---|---|---|---|
| [b-Cyclodextrin](1).[cimetidine] | 2.63 | 6.8 | 25.0 | HPLC-method | Alamdar Ashnagar 2005 | |
| [b-CDNSC](1).[cimetidine] | 2.67 | 6.8 | 25.0 | HPLC-method | Alamdar Ashnagar 2005 | |