CSN

N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM

Created:	2000-05-25
Last modified:	2011-06-04

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4 entries where CSN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

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Chemical Component Summary
Name	N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM
Systematic Name (OpenEye OEToolkits)	(2-hydroxy-5-nitro-phenyl) hydrogen sulfate
Formula	C₆ H₅ N O₇ S
Molecular Weight	235.171
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(Oc1cc(ccc1O)[N+]([O-])=O)O
SMILES	CACTVS	3.341	Oc1ccc(cc1O[S](O)(=O)=O)[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1[N+](=O)[O-])OS(=O)(=O)O)O
Canonical SMILES	CACTVS	3.341	Oc1ccc(cc1O[S](O)(=O)=O)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1[N+](=O)[O-])OS(=O)(=O)O)O
InChI	InChI	1.03	InChI=1S/C6H5NO7S/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13/h1-3,8H,(H,11,12,13)
InChIKey	InChI	1.03	XMCCOOONGGUOLA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB01800
Name	4-Nitrocatechol sulfate
Groups	experimental
Synonyms	para-Nitrocatechol sulfate 4-Nitrocatechol sulfate 2-Hydroxy-5-nitrophenyl sulfate 2-hydroxy-5-nitrophenyl hydrogen sulfate p-Nitrocatechol sulfate
Categories	Benzene Derivatives Phenols
CAS number	10485-66-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Arylsulfatase A	MGAPRSLLLALAAGLAVARPPNIVLIFADDLGYGDLGCYGHPSSTTPNLD...	unknown
Tyrosine-protein phosphatase YopH	MNLSLSDLHRQVSRLVQQESGDCTGKLRGNVAANKETTFQGLTIASGARE...	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