BIAdb LS-85800 2561
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb LS-85800 2561
| |
| Systematic (IUPAC) name | |
| [2-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenyl]azanium dichloride | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C17H22Cl2N2 |
| Mol. mass | 325.27598 |
| 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
325.27598
*Exact Mass
324.116004
*Molecular Formula
C17H22Cl2N2
*IUPAC NAME
[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenyl]azanium dichloride
*Canonical Smiles
C[NH+]1CCC2=CC=CC=C2C1CC3=CC=CC=C3[NH3+].[Cl-].[Cl-]
*Isomeric Smiles
N/A
*XLogP
N/A
*Hydrogen bond donor
2
*Hydrogen bond acceptor
2
*Rotational Bond Count
2
*Topological Polar Surface Area
32.1
