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CHEBI:144583 - 5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl sulfate(1−)

ChEBI IDCHEBI:144583
ChEBI Name5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl sulfate(1−)
Stars
ASCII Name5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl sulfate(1-)
DefinitionAn aryl sulfate oxoanion that is the conjugate base of 5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl hydrogen sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
Last Modified21 August 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H16N3O4S2
Net Charge-1
Average Mass378.455
Monoisotopic Mass378.05877
SMILESCNc1nc2c(Cc3cccnc3)c(C)c(OS(=O)(=O)[O-])c(C)c2s1
InChIInChI=1S/C16H17N3O4S2/c1-9-12(7-11-5-4-6-18-8-11)13-15(24-16(17-3)19-13)10(2)14(9)23-25(20,21)22/h4-6,8H,7H2,1-3H3,(H,17,19)(H,20,21,22)/p-1
InChIKeyLPZDTQCWCMPFND-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl sulfate(1−) (CHEBI:144583) is a aryl sulfate oxoanion (CHEBI:139371)
5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl sulfate(1−) (CHEBI:144583) is conjugate base of 5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl hydrogen sulfate (CHEBI:4734)
Incoming Relation(s)
5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl hydrogen sulfate (CHEBI:4734) is conjugate acid of 5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl sulfate(1−) (CHEBI:144583)
IUPAC Name 
5,7-dimethyl-2-(methylamino)-4-[(pyridin-3-yl)methyl]-1,3-benzothiazol-6-yl sulfate
UniProt Name  Source
5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl sulfateUniProt