BIAdb N-Propionyldemecolcine 2814
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2814 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2814 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb N-Propionyldemecolcine 2814
| |
| Systematic (IUPAC) name | |
| N-methyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]propanamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C24H29NO6 |
| Mol. mass | 427.49016 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
427.49016
*Exact Mass
427.199488
*Molecular Formula
C24H29NO6
*IUPAC NAME
N-methyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]propanamide
*Canonical Smiles
CCC(=O)N(C)C1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
*Isomeric Smiles
CCC(=O)N(C)[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
*XLogP
1.8
*Hydrogen bond donor
0
*Hydrogen bond acceptor
6
*Rotational Bond Count
6
*Topological Polar Surface Area
74.3
