BIAdb Tubocurarine 3454
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=3454 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=3454 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Tubocurarine 3454
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C37H42Cl2N2O6 |
| Mol. mass | 681.64518 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Menispermaceae
[edit] Function
Neuromuscular blocking agent
[edit] General Properties
*Molecular Weight
681.64518
*Exact Mass
680.241993
*Molecular Formula
C37H42Cl2N2O6
*IUPAC NAME
N/A
*Canonical Smiles
C[NH+]1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.[Cl-].[Cl-]
*Isomeric Smiles
C[NH+]1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.[Cl-].[Cl-]
*XLogP
N/A
*Hydrogen bond donor
3
*Hydrogen bond acceptor
8
*Rotational Bond Count
2
*Topological Polar Surface Area
81.8
