NSC 264062
From DrugPedia: A Wikipedia for Drug discovery
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| PubChem = 84056 | | PubChem = 84056 | ||
| DrugBank = | | DrugBank = | ||
| - | | ChemSpiderID = | + | | ChemSpiderID = 75838 |
| chemical_formula =C<sub>2</sub><sub>2</sub>H<sub>2</sub><sub>5</sub>NO<sub>6</sub>S | | chemical_formula =C<sub>2</sub><sub>2</sub>H<sub>2</sub><sub>5</sub>NO<sub>6</sub>S | ||
| molecular_weight = 431.502 | | molecular_weight = 431.502 | ||
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94.1 | 94.1 | ||
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| + | ==Toxicity== | ||
| + | |||
| + | Organism Test Type Route Reported Dose (Normalized Dose) Effect Source | ||
| + | |||
| + | mouse LD50 intraperitoneal 944ug/kg (0.944mg/kg) Journal of Medicinal Chemistry. Vol. 24, Pg. 636, 1981. | ||
==External Links== | ==External Links== | ||
Revision as of 04:30, 5 May 2009
| NSC 264062
| |
| Systematic (IUPAC) name | |
| 2-hydroxy-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| ChemSpider | |
| Chemical data | |
| Formula | C22H25NO6S |
| Mol. mass | 431.502 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
Description
General Properties
*Molecular Weight
431.502
*Molecular Formula
C22H25NO6S
*IUPAC NAME
2-hydroxy-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
*Canonical Smiles
COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)CO)OC)OC
*Isomeric Smiles
COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)CO)OC)OC
*XLogP
0.9
*Topological Polar Surface Area
94.1
Toxicity
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 944ug/kg (0.944mg/kg) Journal of Medicinal Chemistry. Vol. 24, Pg. 636, 1981.
