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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organosulfate oxoanion > aryl sulfate oxoanion > 5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl sulfate(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organosulfate oxoanion > aryl sulfate oxoanion > 5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl sulfate(1-)
... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > chalcogen oxoanion > sulfur oxoanion > organosulfate oxoanion > aryl sulfate oxoanion > 5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl sulfate(1-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > chalcogen oxoanion > sulfur oxoanion > organosulfate oxoanion > aryl sulfate oxoanion > 5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl sulfate(1-)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > chalcogen oxoanion > sulfur oxoanion > organosulfate oxoanion > aryl sulfate oxoanion > 5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl sulfate(1-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > chalcogen oxoanion > sulfur oxoanion > organosulfate oxoanion > aryl sulfate oxoanion > 5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl sulfate(1-)

Preferred term

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

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • -1

formula

  • C16H16N3O4S2

inchi

  • InChI=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

inchikey

  • LPZDTQCWCMPFND-UHFFFAOYSA-M

mass

  • 378.440

monoisotopicmass

  • 378.05877

smiles

  • C=1(C(OS([O-])(=O)=O)=C(C)C2=C(C1CC3=CN=CC=C3)N=C(S2)NC)C

subset

  • 3_STAR

synonym EXACT

  • 5,7-dimethyl-2-(methylamino)-4-[(pyridin-3-yl)methyl]-1,3-benzothiazol-6-yl sulfate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:144583

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