(-)-Roehybridine

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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]
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[[Category:BIAdb_old]]

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Show 3-D Structure

Show 2-D Structure

(-)-Roehybridine
Systematic (IUPAC) name
N/A
Identifiers
CAS number  ?
ATC code  ?
PubChem 6711431
Chemical data
Formula C31H39N3O5
Mol. mass 533.65846
SMILES eMolecules & PubChem
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

[edit] External Links

Link to BIAdb Database