BIAdb Erythratidine 2141
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2141 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2141 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Erythratidine 2141
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C19H25NO4 |
| Mol. mass | 331.4061 |
| 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
331.4061
*Exact Mass
331.178358
*Molecular Formula
C19H25NO4
*IUPAC NAME
N/A
*Canonical Smiles
COC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
*Isomeric Smiles
CO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
*XLogP
1.2
*Hydrogen bond donor
1
*Hydrogen bond acceptor
5
*Rotational Bond Count
3
*Topological Polar Surface Area
51.2
