BIAdb 1-methoxyberberium 1025
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1025 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1025 Link to BIAdb Database] | ||
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| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb 1-methoxyberberium 1025
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H20ClNO5 |
| Mol. mass | 401.8402 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Dactylicapnos torulosa
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
401.8402
*Exact Mass
401.103
*Molecular Formula
C21H20ClNO5
*IUPAC NAME
N/A
*Canonical Smiles
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=C(C5=C(C=C4CC3)OCO5)OC)OC.[Cl-]
*Isomeric Smiles
N/A
*XLogP
N/A
*Hydrogen bond donor
0
*Hydrogen bond acceptor
6
*Rotational Bond Count
3
*Topological Polar Surface Area
50
