BIAdb Lopac0 000176 2554
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Revision as of 00:00, 15 January 2001 by Special:Contributions/ (Talk)
| BIAdb Lopac0 000176 2554
| |
| Systematic (IUPAC) name | |
| (6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-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 | ? |
Contents |
Description
Source
N/A
Function
Unknown
General Properties
*Molecular Weight
382.3866
*Exact Mass
382.129062
*Molecular Formula
C21H20NO6+
*IUPAC NAME
(6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
*Canonical Smiles
C[N+]1(CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C
*Isomeric Smiles
C[N+]1(CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C
*XLogP
2.6
*Hydrogen bond donor
0
*Hydrogen bond acceptor
6
*Rotational Bond Count
1
*Topological Polar Surface Area
63.2
