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Substance Name: Indican
RN: 487-94-5
UNII: KT0QA88913
InChIKey: BXFFHSIDQOFMLE-UHFFFAOYSA-N

Note

  • A substance occurring in the urine of mammals and also in blood plasma as the normal metabolite of tryptophan. An increased urinary excretion of indican is seen in Hartnup disease from the bacterial degradation of unabsorbed tryptophan.

Molecular Formula

  • C8-H7-N-O4-S

Molecular Weight

  • 213.2123
 
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Names and Synonyms

Name of Substance

  • Indican

MeSH Heading

  • Indican

Synonyms

  • 3-Indoxyl sulfate
  • 3-Indoxylsulfuric acid
  • Indican (metabolic indolyl sulfate)
  • Indoxyl sulfate
  • Indoxylsulfuric acid
  • UNII-KT0QA88913

Systematic Name

  • 1H-Indol-3-ol, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 487-94-5

FDA UNII

  • KT0QA88913

Other Registry Number

  • 130385-38-5

Related Registry Number

  • 2642-37-7 (mono-potassium salt)

System Generated Number

  • 0000487945

Structure Descriptors

InChI

1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)

InChIKey

BXFFHSIDQOFMLE-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.910 (none)   EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.