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Substance Name: 4-(2-Amino-1-methylimidazo(4,5-b)pyrid-6-yl)phenyl sulfate
RN: 122664-96-4
InChIKey: SSEWDBILXMYUPG-UHFFFAOYSA-N

Note

  • Major metabolite of food mutagen 2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine.

Molecular Formula

  • C13-H12-N4-O4-S

Molecular Weight

  • 320.328
 
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Names and Synonyms

Name of Substance

  • 4-(2-Amino-1-methylimidazo(4,5-b)pyrid-6-yl)phenyl sulfate

Synonym

  • 4-Phip sulfate

Systematic Name

  • Phenol, 4-(2-amino-1-methyl-1H-imidazo(4,5-b)pyridin-6-yl)-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 122664-96-4

System Generated Number

  • 0122664964

Structure Descriptors

InChI

1S/C13H12N4O4S/c1-17-11-6-9(7-15-12(11)16-13(17)14)8-2-4-10(5-3-8)21-22(18,19)20/h2-7H,1H3,(H2,14,15,16)(H,18,19,20)

InChIKey

SSEWDBILXMYUPG-UHFFFAOYSA-N

Smiles

O(S(=O)(=O)O)c1ccc(cc1)c1cc2c(nc1)nc(n2C)N