(-)-Roehybridine
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2053 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2053 Link to BIAdb Database] | ||
+ | [[Category:BIAdb_old]] |
Current revision
(-)-Roehybridine
| |
Systematic (IUPAC) name | |
N/A | |
Identifiers | |
CAS number | ? |
ATC code | ? |
PubChem | |
Chemical data | |
Formula | C31H39N3O5 |
Mol. mass | 533.65846 |
SMILES | & |
Pharmacokinetic data | |
Bioavailability | ? |
Metabolism | ? |
Half life | ? |
Excretion | ? |
Therapeutic considerations | |
Pregnancy cat. |
? |
Legal status | |
Routes | ? |
[edit] Description
[edit] General Properties
*Molecular Weight
533.65846
*Molecular Formula
C31H39N3O5
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC2=CC(=C(C3=C2C1CC34CCC5(C(C4)OC)C6=C(CCN5)C7=CC(=C(C=C7N6)OC)OC)O)OC
*Isomeric Smiles
CN1CCC2=CC(=C(C3=C2C1C[C@@]34CC[C@@]5([C@H](C4)OC)C6=C(CCN5)C7=CC(=C(C=C7N6)OC)OC)O)OC
*XLogP
2.4
*Topological Polar Surface Area
88.2