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Substance Name: Ergosine, dihydro-, tartrate
RN: 73986-92-2
InChIKey: UDPYRBOUPWEPSB-XPCIGUNVSA-N

Molecular Formula

  • C30-H39-N5-O5.C4-H6-O6

Molecular Weight

  • 699.7535
 
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Names and Synonyms

Synonym

  • Dihydroergosine tartrate

Systematic Name

  • Ergosine, dihydro-, tartrate

Registry Numbers

CAS Registry Number

  • 73986-92-2

System Generated Number

  • 0073986922

Molecular Formulas

Molecular Formula

  • C30-H39-N5-O5.C4-H6-O6

Molecular Formula Fragments

  • C30-H39-N5-O5
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C30H39N5O5.C4H6O6/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18;5-1(3(7)8)2(6)4(9)10/h5,7-8,14,16,18,20,22-24,31,39H,6,9-13,15H2,1-4H3,(H,32,36);1-2,5-6H,(H,7,8)(H,9,10)/t18-,20-,22-,23+,24+,29-,30+;1-,2-/m11/s1

InChIKey

UDPYRBOUPWEPSB-XPCIGUNVSA-N

Smiles

CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@@H]4C[C@@H]5c6cccc7c6c(c[nH]7)C[C@H]5N(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 37mg/kg (37mg/kg)   Bulletin der Schweizerischen Akademie der Medizinischen Wissenschaften. Vol. 2, Pg. 1, 1946/1947.