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 | |
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Formal Charge | 2 |
Atom Count | 65 |
Chiral Atom Count | 0 |
Bond Count | 68 |
Aromatic Bond Count | 23 |
Chemical Component Summary | |
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Name | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM |
Synonyms | PROPIDIUM |
Systematic Name (OpenEye OEToolkits) | 3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-azanium |
Formula | C27 H34 N4 |
Molecular Weight | 414.586 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CCC[N+](CC)(CC)C)N |
SMILES | CACTVS | 3.341 | CC[N+](C)(CC)CCC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N |
Canonical SMILES | CACTVS | 3.341 | CC[N+](C)(CC)CCC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | ZDWVWKDAWBGPDN-UHFFFAOYSA-O |
Drug Info: DrugBank
DrugBank ID | DB02166 |
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Name | Propidium |
Groups | experimental |
Description | Quaternary 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] |
Synonyms | Propidium |
Categories |
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CAS number | 36015-30-2 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
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Acetylcholinesterase | MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRG... | 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 Name | Reference |
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PubChem | 4939, 101643283 |
ChEMBL | CHEMBL332935 |
ChEBI | CHEBI:51246 |