BIAdb Erysotrine 2111
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Erysotrine 2111
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C19H23NO3 |
| Mol. mass | 313.39082 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Erythrina steyermarkii
[edit] Function
Neuromuscular blocking agent
[edit] General Properties
*Molecular Weight
313.39082
*Exact Mass
313.167794
*Molecular Formula
C19H23NO3
*IUPAC NAME
N/A
*Canonical Smiles
COC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
*Isomeric Smiles
CO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
*XLogP
2.1
*Hydrogen bond donor
0
*Hydrogen bond acceptor
4
*Rotational Bond Count
3
*Topological Polar Surface Area
30.9
