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518-67-2

518-67-2 | Dimidium bromide

CAS No: 518-67-2 Catalog No: AG003PNO MDL No:MFCD00011757

Product Description

Catalog Number:
AG003PNO
Chemical Name:
Dimidium bromide
CAS Number:
518-67-2
Molecular Formula:
C20H18BrN3
Molecular Weight:
380.2810
MDL Number:
MFCD00011757
IUPAC Name:
5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide
InChI:
InChI=1S/C20H17N3.BrH/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13;/h2-12,22H,21H2,1H3;1H
InChI Key:
MQOKYEROIFEEBH-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)c(c1ccccc1)[n+](c1c2ccc(c1)N)C.[Br-]
EC Number:
208-256-7
NSC Number:
522842

Properties

Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.068g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
380.289g/mol
Monoisotopic Mass:
379.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
A comprehensive strategy to discover inhibitors of the translesion synthesis DNA polymerase κ. PloS one 20120101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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