BIAdb 3,4-Dihydropapaveroline HBr 1042
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb 3,4-Dihydropapaveroline HBr 1042
| |
| Systematic (IUPAC) name | |
| 1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-3,4-dihydro-2H-isoquinolin-6-one hydrobromide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C16H16BrNO4 |
| Mol. mass | 366.20654 |
| 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
366.20654
*Exact Mass
365.026271
*Molecular Formula
C16H16BrNO4
*IUPAC NAME
1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-3,4-dihydro-2H-isoquinolin-6-one hydrobromide
*Canonical Smiles
C1CNC(=C2C1=CC(=O)C(=C2)O)CC3=CC(=C(C=C3)O)O.Br
*Isomeric Smiles
N/A
*XLogP
N/A
*Hydrogen bond donor
4
*Hydrogen bond acceptor
5
*Rotational Bond Count
2
*Topological Polar Surface Area
89.8
