BIAdb Opium 2868
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2868 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2868 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Opium 2868
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C55H62ClN3O10 |
| Mol. mass | 960.54788 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Papaver somniferum
[edit] Function
Antidiarrheal
[edit] General Properties
*Molecular Weight
960.54788
*Exact Mass
959.412373
*Molecular Formula
C55H62ClN3O10
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
*Isomeric Smiles
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)OC3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)OC3[C@H](C=C4)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
*XLogP
N/A
*Hydrogen bond donor
4
*Hydrogen bond acceptor
13
*Rotational Bond Count
7
*Topological Polar Surface Area
145
