BIAdb LS-21485 2560
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(Difference between revisions)
Revision as of 00:00, 15 January 2001
BIAdb LS-21485 2560
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Systematic (IUPAC) name | |
N/A | |
Identifiers | |
CAS number | ? |
ATC code | ? |
PubChem | |
Chemical data | |
Formula | C21H25NO5 |
Mol. mass | 371.4269 |
SMILES | & |
Pharmacokinetic data | |
Bioavailability | ? |
Metabolism | ? |
Half life | ? |
Excretion | ? |
Therapeutic considerations | |
Pregnancy cat. |
? |
Legal status | |
Routes | ? |
Contents |
Description
Source
N/A
Function
Unknown
General Properties
*Molecular Weight
371.4269
*Exact Mass
371.173273
*Molecular Formula
C21H25NO5
*IUPAC NAME
N/A
*Canonical Smiles
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC)[O-]
*Isomeric Smiles
C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC)[O-]
*XLogP
2.8
*Hydrogen bond donor
0
*Hydrogen bond acceptor
5
*Rotational Bond Count
4
*Topological Polar Surface Area
60