BIAdb 3',4'-desoxy-3,4-dihydropapaveroline 1038
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb 3',4'-desoxy-3,4-dihydropapaveroline 1038
| |
| Systematic (IUPAC) name | |
| 7-hydroxy-1-(phenylmethyl)-3,4-dihydro-2H-isoquinolin-6-one | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C16H15NO2 |
| Mol. mass | 253.2958 |
| 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
253.2958
*Exact Mass
253.110279
*Molecular Formula
C16H15NO2
*IUPAC NAME
7-hydroxy-1-(phenylmethyl)-3,4-dihydro-2H-isoquinolin-6-one
*Canonical Smiles
C1CNC(=C2C1=CC(=O)C(=C2)O)CC3=CC=CC=C3
*Isomeric Smiles
N/A
*XLogP
2.2
*Hydrogen bond donor
2
*Hydrogen bond acceptor
3
*Rotational Bond Count
2
*Topological Polar Surface Area
49.3
