NSC 186305
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2146 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2146 Link to BIAdb Database] | ||
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==References== | ==References== | ||
Journal of Medicinal Chemistry. Vol. 24, Pg. 636, 1981. | Journal of Medicinal Chemistry. Vol. 24, Pg. 636, 1981. | ||
[[Category:Alkaloids]] | [[Category:Alkaloids]] | ||
Revision as of 11:14, 10 December 2009
| NSC 186305
| |
| Systematic (IUPAC) name | |
| N-[1,2,3-trimethoxy-9-oxo-10-(phenylmethylsulfanyl)
-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| ChemSpider | |
| Chemical data | |
| Formula | C28H29NO5S |
| Mol. mass | 491.59856 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
Description
General Properties
*Molecular Weight
491.59856
*Molecular Formula
C28H29NO5S
*IUPAC NAME
N-[1,2,3-trimethoxy-9-oxo-10-(phenylmethylsulfanyl)-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
*Canonical Smiles
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SCC4=CC=CC=C4)OC)OC)OC
*Isomeric Smiles
N/A
*XLogP
3.4
*Topological Polar Surface Area
73.9 Toxicity mouse LD50 intraperitoneal 30mg/kg (30mg/kg)
External Links
References
Journal of Medicinal Chemistry. Vol. 24, Pg. 636, 1981.
