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Substance Name: Urea, N,N-diethyl-N'-((8-alpha)-6-methylergolin-8-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
RN: 106347-60-8
InChIKey: AGJMSOLMMVCFSR-IVAWQFMLSA-N

Molecular Formula

  • C20-H28-N4-O.C6-H8-O7

Molecular Weight

  • 532.5904
 
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Names and Synonyms

Synonyms

  • Mysalfon
  • Terguride dihydrogen citrate
  • VUFB14400

Systematic Name

  • Urea, N,N-diethyl-N'-((8-alpha)-6-methylergolin-8-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Registry Numbers

CAS Registry Number

  • 106347-60-8

System Generated Number

  • 0106347608

Molecular Formulas

Molecular Formula

  • C20-H28-N4-O.C6-H8-O7

Molecular Formula Fragments

  • C20-H28-N4-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C20H28N4O.C6H8O7/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t14-,16?,18+;/m0./s1

InChIKey

AGJMSOLMMVCFSR-IVAWQFMLSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD subcutaneous > 40mg/kg (40mg/kg)   Biologizace a Chemizace Zivocisne Vyroby-Veterinaria. Biological and Chemical Factors in Animal Production-Veterinary Science. Vol. 26, Pg. 101, 1990.