11-{[3-(Dimethylamino)propyl]amino}-8-methyl-7H-benzo[e]pyrido[4,3-b]indol-3-ol methanesulfonate (1:1)

ChemSpider ID: 329367
Molecular Formula: C₂₂H₂₈N₄O₄S
Monoisotopic mass: 444.183136 Da
Systematic name

11-{[3-(Dimethylamino)propyl]amino}-8-methyl-7H-benzo[e]pyrido[4,3-b]indol-3-ol methanesulfonate (1:1)
SMILES and InChIs

SMILES:

O=S(=O)(O)C.n4cc(c3c(c1c(ccc2cc(O)ccc12)n3)c4NCCCN(C)C)C Copied

Std. InChI:

InChI=1S/C21H24N4O.CH4O3S/c1-13-12-23-21(22-9-4-10-25(2)3)19-18-16-7-6-15(26)11-14(16)5-8-17(18)24-20(13)19;1-5(2,3)4/h5-8,11-12,24,26H,4,9-10H2,1-3H3,(H,22,23);1H3,(H,2,3,4) Copied

Std. InChIKey:

POUVZUSSHJDTLE-UHFFFAOYSA-N Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library