BIAdb Sanguinarine analogue,40 3206
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=3206 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=3206 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Sanguinarine analogue,40 3206
| |
| Systematic (IUPAC) name | |
| 8-(methoxymethyl)-5-methyl-[1,3]dioxolo[4,5-i]phenanthridin-5-iumchloride | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C17H16ClNO3 |
| Mol. mass | 317.76684 |
| 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
317.76684
*Exact Mass
317.081871
*Molecular Formula
C17H16ClNO3
*IUPAC NAME
8-(methoxymethyl)-5-methyl-[1,3]dioxolo[4,5-i]phenanthridin-5-iumchloride
*Canonical Smiles
C[N+]1=C2C=CC(=CC2=C3C=CC4=C(C3=C1)OCO4)COC.[Cl-]
*Isomeric Smiles
N/A
*XLogP
N/A
*Hydrogen bond donor
0
*Hydrogen bond acceptor
4
*Rotational Bond Count
2
*Topological Polar Surface Area
31.6
