BIAdb CID6420667 1782
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1782 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1782 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb CID6420667 1782
| |
| Systematic (IUPAC) name | |
| 2,2,5,5-tetramethyl-1-oxo-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)pyrrolidin-1-ium-3-carboxamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C29H37N2O7+ |
| Mol. mass | 525.61328 |
| 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
525.61328
*Exact Mass
525.260077
*Molecular Formula
C29H37N2O7+
*IUPAC NAME
2,2,5,5-tetramethyl-1-oxo-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)pyrrolidin-1-ium-3-carboxamide
*Canonical Smiles
CC1(CC(C([N+]1=O)(C)C)C(=O)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)OC)OC)OC)OC)C
*Isomeric Smiles
N/A
*XLogP
1.5
*Hydrogen bond donor
1
*Hydrogen bond acceptor
7
*Rotational Bond Count
6
*Topological Polar Surface Area
103
