O16

3-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4-DIOXO-1,2,3,4-TETRAHYDROPHTHALAZIN-6-YL)-5-[(E)-2-PHENYLVINYL]-3H-TETRAAZOL-2-IUM

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is present as a standalone ligand in 1 entries

as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries

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Chemical Component Summary
Name	3-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4-DIOXO-1,2,3,4-TETRAHYDROPHTHALAZIN-6-YL)-5-[(E)-2-PHENYLVINYL]-3H-TETRAAZOL-2-IUM
Synonyms	2-(2F-BENZOTHIAZOLYL)-5-STYRYL-3-(4F-PHTHALHYDRAZIDYL) TETRAZOLIUM CHLORIDE
Identifiers	6-[3-(1,3-benzothiazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2,3,4-tetrazol-2-ium-2-yl]-2,3-dihydrophthalazine-1,4-dione
Formula	C₂₄ H₁₆ N₇ O₂ S
Molecular Weight	466.495
Type	NON-POLYMER
Isomeric SMILES	c1ccc(cc1)\C=C\c2nn([n+](n2)c3ccc4c(c3)C(=O)NNC4=O)c5nc6ccccc6s5
InChI	InChI=1S/C24H15N7O2S/c32-22-17-12-11-16(14-18(17)23(33)27-26-22)30-28-21(13-10-15-6-2-1-3-7-15)29-31(30)24-25-19-8-4-5-9-20(19)34-24/h1-14H,(H,28,29)/p+1/b13-10+
InChIKey	BEIGFKLRGRRJJA-JLHYYAGUSA-O

Chemical Details
Formal Charge	1
Atom Count	50
Chiral Atom Count	0
Bond Count	55
Aromatic Bond Count	34

Drug Info: DrugBank

DrugBank ID	DB01897
Name	2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride
Groups	experimental
Synonyms	2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Hematopoietic prostaglandin D synthase	MPNYKLTYFNMRGRAEIIRYIFAYLDIQYEDHRIEQADWPEIKSTLPFGK...	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