BIAdb Toxiferine 3436
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=3436 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=3436 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Toxiferine 3436
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C40H46N4O2+2 |
| Mol. mass | 614.81884 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Strychnos toxifera
[edit] Function
Neuromuscular blocking agent
[edit] General Properties
*Molecular Weight
614.81884
*Exact Mass
614.362077
*Molecular Formula
C40H46N4O2+2
*IUPAC NAME
N/A
*Canonical Smiles
C[N+]12CCC34C1CC(C(=CCO)C2)C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CCO)C)C1=CC=CC=C16
*Isomeric Smiles
C[N@@+]12[C@@H]3[C@]4(C5=CC=CC=C5N/6[C@H]4/C(=CN7[C@H]8/C(=C6)/[C@@H]9/C(=CCO)/C[N@+]4([C@H]([C@]8(C5=CC=CC=C75)CC4)C9)C)/[C@@H](C3)/C(=CCO)/C1)CC2
*XLogP
1.8
*Hydrogen bond donor
2
*Hydrogen bond acceptor
4
*Rotational Bond Count
2
*Topological Polar Surface Area
46.9
