Nchembio.78-comp20
From DrugPedia: A Wikipedia for Drug discovery
| Nchembio.78-comp20
| |
| Systematic (IUPAC) name | |
| (5R)-5-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-5H-furo[3,4-f][1,3]benzodioxol-7-one | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H20NO6+ |
| Mol. mass | 382.3866 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
[edit] Description
[edit] General Properties
*Molecular Weight
382.3866
*Molecular Formula
C21H20NO6+
*IUPAC NAME
(5R)-5-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-5H-furo[3,4-f][1,3]benzodioxol-7-one
*Canonical Smiles
C[N+]1(CCC2=CC3=C(C=C2C1C4C5=CC6=C(C=C5C(=O)O4)OCO6)OCO3)C
*Isomeric Smiles
C[N+]1(CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=CC6=C(C=C5C(=O)O4)OCO6)OCO3)C
*XLogP
N/A
*Topological Polar Surface Area
63.2
