Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate
RN: 126606-39-1
InChIKey: KRINBCDXDDRQGC-LUXCZUCXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H37-N5-O2.2H3-P-O4

Molecular Weight

  • 629.5839
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • Ergoline-8-carboxamide, N-(((3-(dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propenyl)-,(8-beta)-, diphosphate

Registry Numbers

CAS Registry Number

  • 126606-39-1

System Generated Number

  • 0126606391

Molecular Formulas

Molecular Formula

  • C26-H37-N5-O2.2H3-P-O4

Molecular Formula Fragments

  • C26-H37-N5-O2
  • COMPONENT
  • H3-P-O4

Structure Descriptors

InChI

1S/C26H37N5O2.H4O7P2/c1-5-12-30-17-19(25(32)31(6-2)26(33)27-11-8-13-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30;1-8(2,3)7-9(4,5)6/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33);(H2,1,2,3)(H2,4,5,6)/t19-,21?,23-;/m1./s1

InChIKey

KRINBCDXDDRQGC-LUXCZUCXSA-N

Smiles

CCN(C(=O)[C@@H]1CC2c3cccc4c3c(c[nH]4)C[C@H]2N(C1)CC=C)C(=O)NCCCN(C)C.OP(=O)(O)OP(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 574mg/kg (574mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 421, 1989.