PRM

3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM

Created: 2002-12-11
Last modified:  2021-03-01

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Chemical Details

Formal Charge2
Atom Count65
Chiral Atom Count0
Bond Count68
Aromatic Bond Count23
2D diagram of PRM

Chemical Component Summary

Name3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM
SynonymsPROPIDIUM
Systematic Name (OpenEye OEToolkits)3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-azanium
FormulaC27 H34 N4
Molecular Weight414.586
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CCC[N+](CC)(CC)C)N
SMILESCACTVS3.341CC[N+](C)(CC)CCC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4
SMILESOpenEye OEToolkits1.5.0CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
Canonical SMILESCACTVS3.341 CC[N+](C)(CC)CCC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4
Canonical SMILESOpenEye OEToolkits1.5.0 CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
InChIInChI1.03 InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1
InChIKeyInChI1.03 ZDWVWKDAWBGPDN-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank IDDB02166 
NamePropidium
Groups experimental
DescriptionQuaternary ammonium analog of ethidium; an intercalating dye with a specific affinity to certain forms of DNA and, used as diiodide, to separate them in density gradients; also forms fluorescent complexes with cholinesterase which it inhibits. [PubChem]
SynonymsPropidium
Categories
  • Coloring Agents
  • Compounds used in a research, industrial, or household setting
  • Heterocyclic Compounds, Fused-Ring
  • Indicators and Reagents
  • Intercalating Agents
CAS number36015-30-2

Drug Targets

NameTarget SequencePharmacological ActionActions
AcetylcholinesteraseMRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 4939, 101643283
ChEMBL CHEMBL332935
ChEBI CHEBI:51246