STOCK1N-45781
From DrugPedia: A Wikipedia for Drug discovery
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| PubChem = 84072 | | PubChem = 84072 | ||
| DrugBank = | | DrugBank = | ||
| - | | ChemSpiderID = | + | | ChemSpiderID = 75849 |
| chemical_formula =C<sub>2</sub><sub>8</sub>H<sub>3</sub><sub>0</sub>N<sub>2</sub>O<sub>5</sub> | | chemical_formula =C<sub>2</sub><sub>8</sub>H<sub>3</sub><sub>0</sub>N<sub>2</sub>O<sub>5</sub> | ||
| molecular_weight = 474.5482 | | molecular_weight = 474.5482 | ||
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85.9 | 85.9 | ||
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| + | ==Toxicity== | ||
| + | |||
| + | Organism Test Type Route Reported Dose (Normalized Dose) Effect Source | ||
| + | |||
| + | mouse LD50 intraperitoneal 25mg/kg (25mg/kg) Journal of Medicinal Chemistry. Vol. 24, Pg. 636, 1981. | ||
==External Links== | ==External Links== | ||
Revision as of 04:27, 5 May 2009
| STOCK1N-45781
| |
| Systematic (IUPAC) name | |
| N-[(7S)-1,2,3-trimethoxy-9-oxo-10-(phenylmethylamino)-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| ChemSpider | |
| Chemical data | |
| Formula | C28H30N2O5 |
| Mol. mass | 474.5482 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
Description
General Properties
*Molecular Weight
474.5482
*Molecular Formula
C28H30N2O5
*IUPAC NAME
N-[(7S)-1,2,3-trimethoxy-9-oxo-10-(phenylmethylamino)-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)NCC4=CC=CC=C4)OC)OC)OC
*Isomeric Smiles
CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC4=CC=CC=C4)OC)OC)OC
*XLogP
3.4
*Topological Polar Surface Area
85.9
Toxicity
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg) Journal of Medicinal Chemistry. Vol. 24, Pg. 636, 1981.
