Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Sulforaphen
RN: 592-95-0
UNII: NCO9MC39IO
InChIKey: QKGJFQMGPDVOQE-HWKANZROSA-N

Note

  • From radish.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C6-H9-N-O-S2

Molecular Weight

  • 175.2751
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Sulforaphen

Synonyms

  • 4-Isothiocyanato-1-(methylsulfinyl)-1-butene
  • Raphanin
  • Sativin
  • Sulforaphene
  • Sulphoraphen
  • UNII-NCO9MC39IO

Systematic Names

  • 1-Butene, 4-isothiocyanato-1-(methylsulfinyl)- (9CI)
  • Isothiocyanic acid, 4-(methylsulfinyl)-3-butenyl ester

Registry Numbers

CAS Registry Number

  • 592-95-0

FDA UNII

  • NCO9MC39IO

System Generated Number

  • 0000592950

Structure Descriptors

InChI

1S/C6H9NOS2/c1-10(8)5-3-2-4-7-6-9/h3,5H,2,4H2,1H3/b5-3+

InChIKey

QKGJFQMGPDVOQE-HWKANZROSA-N

Smiles

C[S+]([O-])\C=C\CCN=C=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 10mg/kg (10mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(2), Pg. 357, 1982.