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Substance Name: 2-Cyclopenten-1-one, 3-((((8-beta)-6-methylergolin-8-yl)methyl)amino)-
RN: 79675-36-8
InChIKey: PTYAXFNVTJYDMK-BTQZEYGESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N3-O

Molecular Weight

  • 335.4485
 
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Names and Synonyms

Synonyms

  • 3-((((8-beta)-6-Methylergolin-8-yl)methyl)amino)-2-cyclopenten-1-one
  • 6-Methyl-8-((2-cyclopentenone)-3-aminomethyl)ergoline

Systematic Name

  • 2-Cyclopenten-1-one, 3-((((8-beta)-6-methylergolin-8-yl)methyl)amino)-

Registry Numbers

CAS Registry Number

  • 79675-36-8

System Generated Number

  • 0079675368

Structure Descriptors

InChI

1S/C21H25N3O/c1-24-12-13(10-22-15-5-6-16(25)9-15)7-18-17-3-2-4-19-21(17)14(11-23-19)8-20(18)24/h2-4,9,11,13,18,20,22-23H,5-8,10,12H2,1H3/t13-,18?,20+/m0/s1

InChIKey

PTYAXFNVTJYDMK-BTQZEYGESA-N

Smiles

CN1C[C@@H](CC2[C@H]1Cc3c[nH]c4c3c2ccc4)CNC5=CC(=O)CC5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 800mg/kg (800mg/kg)   United States Patent Document. Vol. #4382940,