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Substance Name: Urea, N,N-diethyl-N'-((8-alpha)-6-propylergolin-8-yl)-, (Z)-2-butenedioate (1:1)
RN: 96860-89-8
InChIKey: SGRCWZZGVDOQPZ-WOVISVJPSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C22-H32-N4-O.C4-H4-O4

Molecular Weight

  • 484.5934
 
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Names and Synonyms

Synonym

  • N,N-Diethyl-N'-((8-alpha)-6-propylergolin-8-yl)urea (Z)-2-butenedioate

Systematic Name

  • Urea, N,N-diethyl-N'-((8-alpha)-6-propylergolin-8-yl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 96860-89-8

System Generated Number

  • 0096860898

Molecular Formulas

Molecular Formula

  • C22-H32-N4-O.C4-H4-O4

Molecular Formula Fragments

  • C22-H32-N4-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H32N4O.C4H4O4/c1-4-10-26-14-16(24-22(27)25(5-2)6-3)12-18-17-8-7-9-19-21(17)15(13-23-19)11-20(18)26;5-3(6)1-2-4(7)8/h7-9,13,16,18,20,23H,4-6,10-12,14H2,1-3H3,(H,24,27);1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-,18?,20+;/m0./s1

InChIKey

SGRCWZZGVDOQPZ-WOVISVJPSA-N

Smiles

c12c3c(C4[C@H](N(C[C@@H](NC(=O)N(CC)CC)C4)CCC)C1)cccc3[nH]c2.C(=O)(/C=C\C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 48650ug/kg (48.65mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 49, Pg. 2828, 1984.