BIAdb Sanguinarine analogue,40 3206

From DrugPedia: A Wikipedia for Drug discovery

Jump to: navigation, search

Show 3-D Structure

Show 2-D Structure

BIAdb Sanguinarine analogue,40 3206
Systematic (IUPAC) name
8-(methoxymethyl)-5-methyl-[1,3]dioxolo[4,5-i]phenanthridin-5-iumchloride
Identifiers
CAS number  ?
ATC code  ?
PubChem 25093283
Chemical data
Formula C17H16ClNO3
Mol. mass 317.76684
SMILES eMolecules & PubChem
Pharmacokinetic data
Bioavailability  ?
Metabolism  ?
Half life  ?
Excretion  ?
Therapeutic considerations
Pregnancy cat.

?

Legal status
Routes  ?

Contents

[edit] Description

[edit] Source

N/A

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

317.76684

*Exact Mass

317.081871

*Molecular Formula

C17H16ClNO3

*IUPAC NAME

8-(methoxymethyl)-5-methyl-[1,3]dioxolo[4,5-i]phenanthridin-5-iumchloride

*Canonical Smiles

C[N+]1=C2C=CC(=CC2=C3C=CC4=C(C3=C1)OCO4)COC.[Cl-]

*Isomeric Smiles

N/A

*XLogP

N/A

*Hydrogen bond donor

0

*Hydrogen bond acceptor

4

*Rotational Bond Count

2

*Topological Polar Surface Area

31.6

[edit] External Links

Link to BIAdb Database