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Substance Name: Adrenochrome
RN: 54-06-8
UNII: 70G54NQL71
InChIKey: RPHLQSHHTJORHI-UHFFFAOYSA-N

Note

  • Pigment obtained by the oxidation of epinephrine.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H9-N-O3

Molecular Weight

  • 179.1741
 
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Names and Synonyms

Name of Substance

  • Adrenochrome

MeSH Heading

  • Adrenochrome

Synonyms

  • 2,3-Dihydro-3-hydroxy-1-methyl-1H-indole-5,6-dione
  • 3-Hydroxy-1-methyl-5,6-indolinedione
  • Adraxone
  • Adrenochrome
  • EINECS 200-192-8
  • UNII-70G54NQL71
  • USAF uctl-7

Systematic Names

  • 1H-Indole-5,6-dione, 2,3-dihydro-3-hydroxy-1-methyl- (9CI)
  • 3-Hydroxy-1-methylindoline-5,6-dione
  • 5,6-Indolinedione, 3-hydroxy-1-methyl-

Registry Numbers

CAS Registry Number

  • 54-06-8

FDA UNII

  • 70G54NQL71

System Generated Number

  • 0000054068

Structure Descriptors

InChI

1S/C9H9NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,13H,4H2,1H3

InChIKey

RPHLQSHHTJORHI-UHFFFAOYSA-N

Smiles

CN1CC(C2=CC(=O)C(=O)C=C21)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 intravenous 128mg/kg (128mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 106, Pg. 90, 1956.
rat LD50 intraperitoneal 150mg/kg (150mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 106, Pg. 90, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 125 dec deg C   EXP
log P (octanol-water) -1.730 (none)   EST
Atmospheric OH Rate Constant 1.11E-10 cm3/molecule-sec 25 EST

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