BIAdb Metvine 2689
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2689 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2689 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Metvine 2689
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C20H23ClN2O |
| Mol. mass | 342.86242 |
| 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
342.86242
*Exact Mass
342.149891
*Molecular Formula
C20H23ClN2O
*IUPAC NAME
N/A
*Canonical Smiles
CC=C1C[N+]2(CCC34C2CC1C(=C3NC5=CC=CC=C45)C=O)C.[Cl-]
*Isomeric Smiles
CC=C1C[N+]2(CCC34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C=O)C.[Cl-]
*XLogP
N/A
*Hydrogen bond donor
1
*Hydrogen bond acceptor
3
*Rotational Bond Count
1
*Topological Polar Surface Area
29.1
