BIAdb Berberine acetonic 1484
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Berberine acetonic 1484
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C19H20ClNO4 |
| Mol. mass | 361.8194 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
361.8194
*Exact Mass
361.108086
*Molecular Formula
C19H20ClNO4
*IUPAC NAME
N/A
*Canonical Smiles
C[NH+]1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)O)OCO3.[Cl-]
*Isomeric Smiles
C[NH+]1CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C(=C(C=C5)OC)O)OCO3.[Cl-]
*XLogP
N/A
*Hydrogen bond donor
2
*Hydrogen bond acceptor
5
*Rotational Bond Count
1
*Topological Polar Surface Area
52.4
