Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0FG5H)
DIG Name	Miripirium chloride
Synonyms	Click to Show/Hide the Synonyms of This DIG Miripirium chloride; 2748-88-1; Quatresin; Myristyl-gamma-picolinium chloride; 4-methyl-1-tetradecylpyridin-1-ium chloride; Wet-Tone B; Pyridinium, 4-methyl-1-tetradecyl-, chloride; 4-Methyl-1-tetradecylpyridinium chloride; Miripirium chloride [INN]; UNII-3D6CWI0P23; MYRISTYL-G-PICOLINIUM CHLORIDE; Tetradecyl-4-methylpyridinium chloride; 3D6CWI0P23; 4-methyl-1-tetradecylpyridin-1-ium;chloride; Miripirium chloride (INN); Pyridinium, 4-methyl-1-tetradecyl-, chloride (1:1); Miripirii chloridum; 1-Myristylpicolinium; Cloruro de miripirio; Chlorure de miripirium; Miripirii chloridum [INN-Latin]; NCGC00181085-01; Cloruro de miripirio [INN-Spanish]; EINECS 220-387-1; Chlorure de miripirium [INN-French]; NSC 36338; 4-Picolinium, 1-tetradecyl-, chloride; 4-Picolinium, chloride; 1-TETRADECYL-4-PICOLINIUM CHLORIDE; DSSTox_CID_26834; DSSTox_RID_81946; DSSTox_GSID_46834; myristyl--picolinium chloride; SCHEMBL58027; 1-Myristylpicolinium Chloride; CHEMBL2107233; DTXSID2046834; BCP16386; NSC36338; WLN: T6KJ A14 D1 &G; Myristyl-.gamma.-picolinium chloride; Tox21_112704; NSC-36338; AKOS015891973; AM84867; CAS-2748-88-1; DB-047232; FT-0603618; WLN: T6KJ A14 D &G &3/13; D10217; 140480-EP2277565A2; 140480-EP2277566A2; 140480-EP2277567A1; 140480-EP2277568A2; 140480-EP2277569A2; 140480-EP2277570A2; 140480-EP2292280A1; 1-ETHYL-2-ETHYLTHIO-6-METHOXYQUINOLINIUMIODIDE; Q27257063
DIG Function	Antimicrobial preservative
PubChem CID	17671
Formula	C20H36ClN
Canonical SMILES	CCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C.[Cl-]
InChI	1S/C20H36N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18-15-20(2)16-19-21;/h15-16,18-19H,3-14,17H2,1-2H3;1H/q+1;/p-1
InChIKey	ZCTSINFCZHUVLI-UHFFFAOYSA-M
	Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure	<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=17671"></iframe>
Structure	3D MOL is not available		2D MOL
Physicochemical Properties	Molecular Weight	326	Topological Polar Surface Area	3.9
	XlogP	N.A.	Complexity	206
	Heavy Atom Count	22	Rotatable Bond Count	13
	Hydrogen Bond Donor Count	0	Hydrogen Bond Acceptor Count	1

Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
Hydrolase (HDase)
DBT Name: Phospholipase A2 (PLA2)		Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Biological Activity	IC50 > 250000 nM (estimated based on the structural similarity with CHEMBL593699 )		[1]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Sus scrofa (Pig)
UniProt ID	PA21B_PIG
Cell line (CELL)
DBT Name: Lung cancer A-549 cells (A-549)		Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Biological Activity	IC50 > 350000 nM (estimated based on the structural similarity with CHEMBL593699 )		[1]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0023
DBT Name: Immortalized MDCK cells (MDCK)		Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Biological Activity	IC50 > 350000 nM (estimated based on the structural similarity with CHEMBL593699 )		[1]
Structural Similarity	Tanimoto coefficient = 1
Tested Species	Canis lupus familiaris (Dog)
Cellosaurus ID	CVCL_0422

References
1	Synthesis, antifungal, haemolytic and cytotoxic activities of a series of bis(alkylpyridinium)alkanes. Bioorg Med Chem. 2009 Sep 1; 17(17):6329-39.

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