BIAdb Toxiferine I 3437
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=3437 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=3437 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Toxiferine I 3437
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C41H50N4O2+2 |
| Mol. mass | 630.8613 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Neuromuscular blocking agent
[edit] General Properties
*Molecular Weight
630.8613
*Exact Mass
630.393377
*Molecular Formula
C41H50N4O2+2
*IUPAC NAME
N/A
*Canonical Smiles
[HH].CC12CC3C(=CCO)C[N+]1(CCC24C5C3=CN6C7C(=CN5C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CCO)C)C1=CC=CC=C16)C
*Isomeric Smiles
[HH].C[C@@]12C[C@H]3/C(=CCO)/C[N@@+]1(CC[C@]24[C@@H]5/C3=CN6[C@H]7/C(=CN5C8=CC=CC=C48)/[C@H]9C[C@H]1[C@@]7(CC[N@+]1(C/C9=C/CO)C)C1=CC=CC=C16)C
*XLogP
N/A
*Hydrogen bond donor
2
*Hydrogen bond acceptor
4
*Rotational Bond Count
2
*Topological Polar Surface Area
46.9
