STOCK1N-28977
From DrugPedia: A Wikipedia for Drug discovery
(Difference between revisions)
Revision as of 00:00, 15 January 2001
| STOCK1N-28977
| |
| Systematic (IUPAC) name | |
| N-[(7S)-10-diethylamino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C25H32N2O5 |
| Mol. mass | 440.53198 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Description
General Properties
*Molecular Weight
440.53198
*Molecular Formula
C25H32N2O5
*IUPAC NAME
N-[(7S)-10-diethylamino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
*Canonical Smiles
CCN(CC)C1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C
*Isomeric Smiles
CCN(CC)C1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C
*XLogP
2.6
*Topological Polar Surface Area
77.1
