BIAdb Isotrilobine-N-2-oxide 2468

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BIAdb Isotrilobine-N-2-oxide 2468
Systematic (IUPAC) name
N/A
Identifiers
CAS number  ?
ATC code  ?
PubChem 5318682
Chemical data
Formula C36H36N2O6
Mol. mass 592.68084
SMILES eMolecules & PubChem
Pharmacokinetic data
Bioavailability  ?
Metabolism  ?
Half life  ?
Excretion  ?
Therapeutic considerations
Pregnancy cat.

?

Legal status
Routes  ?

Contents

Description

Source

Cocculus trilobus

Function

Unknown

General Properties

*Molecular Weight

592.68084

*Exact Mass

592.257337

*Molecular Formula

C36H36N2O6

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CC[N+]7(C)[O-])O4)OC)OC

*Isomeric Smiles

CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@H]7C8=CC(=C(O3)C=C8CC[N+]7(C)[O-])O4)OC)OC

*XLogP

5.8

*Hydrogen bond donor

0

*Hydrogen bond acceptor

7

*Rotational Bond Count

2

*Topological Polar Surface Area

72.5

External Links

Link to BIAdb Database

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