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Substance Name: Ergocryptine, tartrate
RN: 73986-91-1
InChIKey: LLHDXGFEHGTOJB-NXEXWJFKSA-N

Molecular Formula

  • C32-H41-N5-O5.C4-H6-O6

Molecular Weight

  • 725.7913
 
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Names and Synonyms

Synonym

  • Ergokryptine tartrate

Systematic Name

  • Ergocryptine, tartrate

Registry Numbers

CAS Registry Number

  • 73986-91-1

System Generated Number

  • 0073986911

Molecular Formulas

Molecular Formula

  • C32-H41-N5-O5.C4-H6-O6

Molecular Formula Fragments

  • C32-H41-N5-O5
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C32H41N5O5.C4H6O6/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;5-1(3(7)8)2(6)4(9)10/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38);1-2,5-6H,(H,7,8)(H,9,10)/t20-,24-,25+,26+,31-,32+;1-,2-/m11/s1

InChIKey

LLHDXGFEHGTOJB-NXEXWJFKSA-N

Smiles

CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c[nH]c7c6c(ccc7)C5=C4)C)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 intravenous 1050ug/kg (1.05mg/kg)   Bulletin der Schweizerischen Akademie der Medizinischen Wissenschaften. Vol. 2, Pg. 1, 1946/1947.