BIAdb Sanguinarine analogue,34 3204

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BIAdb Sanguinarine analogue,34 3204
Systematic (IUPAC) name
(5-methyl-[1,3]dioxolo[4,5-i]phenanthridin-5-ium-8-yl)methanol chloride
Identifiers
CAS number	?
ATC code	?
PubChem	25093279
Chemical data
Formula	C₁₆H₁₄ClNO₃
Mol. mass	303.74026
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

303.74026

*Exact Mass

303.066221

*Molecular Formula

C₁₆H₁₄ClNO₃

*IUPAC NAME

(5-methyl-[1,3]dioxolo[4,5-i]phenanthridin-5-ium-8-yl)methanol chloride

*Canonical Smiles

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

*Isomeric Smiles

N/A

*XLogP

N/A

*Hydrogen bond donor

1

*Hydrogen bond acceptor

4

*Rotational Bond Count

1

*Topological Polar Surface Area

42.6