BIAdb Erysonine 2097
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2097 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2097 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Erysonine 2097
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C17H19NO3 |
| Mol. mass | 285.33766 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Erythrina caribbean
[edit] Function
Neuromuscular blocking agent
[edit] General Properties
*Molecular Weight
285.33766
*Exact Mass
285.136493
*Molecular Formula
C17H19NO3
*IUPAC NAME
N/A
*Canonical Smiles
COC1=C(C=C2CCN3CC=C4C3(C2=C1)CC(C=C4)O)O
*Isomeric Smiles
COC1=C(C=C2CCN3CC=C4[C@]3(C2=C1)C[C@H](C=C4)O)O
*XLogP
1.3
*Hydrogen bond donor
2
*Hydrogen bond acceptor
4
*Rotational Bond Count
1
*Topological Polar Surface Area
52.9
