CAS 23441-13-6 | Phenanthridine, 6-(4-methyl-1-piperazinyl)- | CAS Number 23441-13-6

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23441-13-6 | Phenanthridine, 6-(4-methyl-1-piperazinyl)-

CAS No: 23441-13-6 Catalog No: AG002N8C MDL No:

Product Description

Catalog Number:

AG002N8C

Chemical Name:

Phenanthridine, 6-(4-methyl-1-piperazinyl)-

CAS Number:

23441-13-6

Molecular Formula:

C18H19N3

Molecular Weight:

277.3636

IUPAC Name:

6-(4-methylpiperazin-1-yl)phenanthridine

InChI:

InChI=1S/C18H19N3/c1-20-10-12-21(13-11-20)18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19-18/h2-9H,10-13H2,1H3

InChI Key:

ZVJIBTNUNUXAIO-UHFFFAOYSA-N

SMILES:

CN1CCN(CC1)c1nc2ccccc2c2c1cccc2

Properties

Complexity:

350

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

277.158g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

277.371g/mol

Monoisotopic Mass:

277.158g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

19.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7

Literature

Title	Journal
Synthesis and evaluation of anti-tubercular activity of 6-(4-substitutedpiperazin-1-yl) phenanthridine analogues.	European journal of medicinal chemistry 20140303
Electrostatic potential surfaces of 5-HT(3)R agonists suggest accessory cation-pi site adjacent to agonist binding domain.	Bioorganic & medicinal chemistry letters 20021007
Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 1. Mapping the central 5-HT3 receptor binding site by arylpiperazine derivatives.	Journal of medicinal chemistry 19980226