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Substance Name: Indole-3-carbaldehyde
RN: 487-89-8
UNII: 7FN04C32UO
InChIKey: OLNJUISKUQQNIM-UHFFFAOYSA-N

Note

  • Metabolite of tryptophan.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H7-N-O

Molecular Weight

  • 145.1603
 
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Names and Synonyms

Name of Substance

  • Indole-3-carbaldehyde

Synonyms

  • 3-Formylindole
  • 5-21-08-00246 (Beilstein Handbook Reference)
  • AI3-52407
  • beta-Indolylaldehyde
  • BRN 0114117
  • EINECS 207-665-8
  • Indol-3-carboxaldehyde
  • Indole-3-aldehyde
  • Indole-3-carbaldehyde
  • INDOLE-3-CARBOXYALDEHYDE
  • NSC 10118
  • UNII-7FN04C32UO

Systematic Names

  • 1H-Indole-3-carboxaldehyde
  • Indole-3-carbaldehyde
  • Indole-3-carboxaldehyde

Registry Numbers

CAS Registry Number

  • 487-89-8

FDA UNII

  • 7FN04C32UO

Other Registry Number

  • 246045-99-8

System Generated Number

  • 0000487898

Structure Descriptors

InChI

InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H

InChIKey

OLNJUISKUQQNIM-UHFFFAOYSA-N

Smiles

O=Cc1c[nH]c2ccccc12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 600mg/kg (600mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ANTICONVULSANT		 Pharmaceutical Chemistry Journal Vol. 6, Pg. 33, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 196.5 deg C   EXP
log P (octanol-water) 1.68 (none)   EXP
Water Solubility 2930 mg/L 25 EST
Vapor Pressure 4.30E-04 mm Hg 25 EST
Henry's Law Constant 2.21E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.27E-11 cm3/molecule-sec 25 EST

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