Xylopinine
From DrugPedia: A Wikipedia for Drug discovery
Xylopinine
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Systematic (IUPAC) name | |
(13aS)-2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline | |
Identifiers | |
CAS number | ? |
ATC code | ? |
PubChem | |
Chemical data | |
Formula | C21H25NO4 |
Mol. mass | 355.4275 |
SMILES | & |
Pharmacokinetic data | |
Bioavailability | ? |
Metabolism | ? |
Half life | ? |
Excretion | ? |
Therapeutic considerations | |
Pregnancy cat. |
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Legal status | |
Routes | ? |
[edit] Description
structure in first source
[edit] General Properties
*Molecular Weight
355.4275
*Molecular Formula
C21H25NO4
*IUPAC NAME
(13aS)-2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
*Canonical Smiles
COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)OC)OC)OC
*Isomeric Smiles
COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)OC)OC)OC
*XLogP
2.4
*Topological Polar Surface Area
40.2