Toxiferine I
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1372 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1372 Link to BIAdb Database] | ||
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Revision as of 11:16, 10 December 2009
| Toxiferine I
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C40H46N4O2+2 |
| Mol. mass | 614.81884 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Description
General Properties
*Molecular Weight
614.81884
*Molecular Formula
C40H46N4O2+2
*IUPAC NAME
N/A
*Canonical Smiles
C[N+]12CCC34C1CC(C(=CCO)C2)C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CCO)C)C1=CC=CC=C16
*Isomeric Smiles
C[N@@+]12CC[C@@]34[C@@H]1C[C@@H](/C(=C/CO)/C2)/C/5=C/N6C7/C(=CN(C53)C8=CC=CC=C48)/[C@H]9C[C@H]1[C@@]7(CC[N@+]1(C/C9=CCO)C)C1=CC=CC=C16
*XLogP
N/A
*Topological Polar Surface Area
46.9
