Calebassine
From DrugPedia: A Wikipedia for Drug discovery
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Revision as of 11:46, 10 December 2009
| Calebassine
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C40H48N4O2+2 |
| Mol. mass | 616.83472 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Description
General Properties
*Molecular Weight
616.83472
*Molecular Formula
C40H48N4O2+2
*IUPAC NAME
N/A
*Canonical Smiles
CC=C1C[N+]2(CCC34C2CC1C5C3(N(C6C5N7C8=CC=CC=C8C91C7(C6C2CC9[N+](CC1)(CC2=CC)C)O)C1=CC=CC=C41)O)C
*Isomeric Smiles
CC=C/1C[N+]2(CCC34C2CC1C5C3(N(C6C5N7C8=CC=CC=C8C91C7(C6C2CC9[N+](CC1)(C/C2=C/C)C)O)C1=CC=CC=C41)O)C
*XLogP
N/A
*Topological Polar Surface Area
46.9
