BIAdb Allocryptopine 1131
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1131 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1131 Link to BIAdb Database] | ||
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Current revision
| BIAdb Allocryptopine 1131
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H23NO5 |
| Mol. mass | 369.41102 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Papaver pinnatifidum
[edit] Function
Oxytocic agent
[edit] General Properties
*Molecular Weight
369.41102
*Exact Mass
369.157623
*Molecular Formula
C21H23NO5
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3
*Isomeric Smiles
N/A
*XLogP
2.9
*Hydrogen bond donor
0
*Hydrogen bond acceptor
6
*Rotational Bond Count
2
*Topological Polar Surface Area
57.2
