BIAdb MLS001076557 2696
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2696 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2696 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb MLS001076557 2696
| |
| Systematic (IUPAC) name | |
| 6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one hydrate hydrochloride | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C22H26ClNO8 |
| Mol. mass | 467.89674 |
| 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
467.89674
*Exact Mass
467.134695
*Molecular Formula
C22H26ClNO8
*IUPAC NAME
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one hydrate hydrochloride
*Canonical Smiles
CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.O.Cl
*Isomeric Smiles
N/A
*XLogP
N/A
*Hydrogen bond donor
2
*Hydrogen bond acceptor
9
*Rotational Bond Count
4
*Topological Polar Surface Area
76.7
