Drug Information| Drug ID: | NPD9240 |
| Drug Name: | Meglumine |
| Molecular Formula: | C7H17NO5 |
| Canonical SMILES: | CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| Standard InCHI: | InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1 |
| Standard InCHIKey: | MBBZMMPHUWSWHV-BDVNFPICSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9240Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient 
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
| TTD | DNCL001902; DIB009478 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 24970412 |
| ChEBI | |
| CAS Number |
| Molecular Weight | 195.11 |
| ALogP | -2.798 |
| MLogP | 1.57 |
| XLogP | -3.573 |
| HDA | 6 |
| HBD | 6 |
| Rotatable Bonds | 12 |
| TPSA | 113.18 |
| RO5 Violation | 1 |