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Substance Name: 3-Buten-2-one, 4-(((8-beta)-6-propylergolin-8-yl)methoxy)-
RN: 79675-58-4
InChIKey: FBXYUYQUYOPSHU-YXXAHHGESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O2

Molecular Weight

  • 352.4752
 
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Names and Synonyms

Synonyms

  • 4-(((8-beta)-6-Propylergolin-8-yl)methoxy)-3-buten-2-one
  • 6-Propyl-8-((3-buten-2-one)-4-oxymethyl)ergoline

Systematic Name

  • 3-Buten-2-one, 4-(((8-beta)-6-propylergolin-8-yl)methoxy)-

Registry Numbers

CAS Registry Number

  • 79675-58-4

System Generated Number

  • 0079675584

Structure Descriptors

InChI

1S/C22H28N2O2/c1-3-8-24-13-16(14-26-9-7-15(2)25)10-19-18-5-4-6-20-22(18)17(12-23-20)11-21(19)24/h4-7,9,12,16,19,21,23H,3,8,10-11,13-14H2,1-2H3/b9-7+/t16-,19?,21-/m1/s1

InChIKey

FBXYUYQUYOPSHU-YXXAHHGESA-N

Smiles

CCCN1C[C@@H](CC2[C@H]1Cc3c[nH]c4c3c2ccc4)CO/C=C/C(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 400mg/kg (400mg/kg)   United States Patent Document. Vol. #4382940,