Xylopine
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(Difference between revisions)
Revision as of 00:00, 15 January 2001
Xylopine
| |
Systematic (IUPAC) name | |
N/A | |
Identifiers | |
CAS number | ? |
ATC code | ? |
PubChem | |
Chemical data | |
Formula | C18H17NO3 |
Mol. mass | 295.33248 |
SMILES | & |
Pharmacokinetic data | |
Bioavailability | ? |
Metabolism | ? |
Half life | ? |
Excretion | ? |
Therapeutic considerations | |
Pregnancy cat. |
? |
Legal status | |
Routes | ? |
Description
RN given refers to (R)-isomer; RN for cpd without isomeric designation not available 3/90; structure given in first source
General Properties
*Molecular Weight
295.33248
*Molecular Formula
C18H17NO3
*IUPAC NAME
N/A
*Canonical Smiles
COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
*Isomeric Smiles
COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
*XLogP
2.9
*Topological Polar Surface Area
39.7