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Substance Name: Indole-3-carbinol
RN: 700-06-1
UNII: C11E72455F
InChIKey: IVYPNXXAYMYVSP-UHFFFAOYSA-N

Note

  • Occurs in edible cruciferous vegetables.

Molecular Formula

  • C9-H9-N-O

Molecular Weight

  • 147.176
 

Classification Codes

  • Anticarcinogenic Agents
  • Antineoplastic Agents
  • Protective Agents
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Indole-3-carbinol

Synonyms

  • 3-Hydroxymethylindole
  • 3-Indolylcarbinol
  • 5-21-03-00045 (Beilstein Handbook Reference)
  • AI3-60090
  • BRN 0121323
  • CCRIS 3261
  • EINECS 211-836-2
  • Indinol
  • Indole 3 carbinol
  • Indole-3-carbinol
  • NSC 525801
  • UNII-C11E72455F

Systematic Names

  • 1H-Indole-3-methanol (9CI)
  • 3-Hydroxymethylindole
  • Indole-3-carbinol
  • Indole-3-methanol

Registry Numbers

CAS Registry Number

  • 700-06-1

FDA UNII

  • C11E72455F

System Generated Number

  • 0000700061

Structure Descriptors

InChI

1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2

InChIKey

IVYPNXXAYMYVSP-UHFFFAOYSA-N

Smiles

c12c([nH]cc1CO)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo subcutaneous 500mg/kg (500mg/kg) BEHAVIORAL: COMA Food and Cosmetics Toxicology. Vol. 18, Pg. 159, 1980.