BIAdb Carbethoxy reticuline 1687
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Carbethoxy reticuline 1687
| |
| Systematic (IUPAC) name | |
| ethyl7-hydroxy-1-[(5-hydroxy-4-methoxy-2-methylphenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C22H27NO6 |
| Mol. mass | 401.45288 |
| 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
401.45288
*Exact Mass
401.183838
*Molecular Formula
C22H27NO6
*IUPAC NAME
ethyl7-hydroxy-1-[(5-hydroxy-4-methoxy-2-methylphenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
*Canonical Smiles
CCOC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3C)OC)O)O)OC
*Isomeric Smiles
N/A
*XLogP
3.6
*Hydrogen bond donor
2
*Hydrogen bond acceptor
6
*Rotational Bond Count
6
*Topological Polar Surface Area
88.5
