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Substance Name: Ergocornine, dihydro-, tartrate
RN: 102366-78-9
InChIKey: JQWRQBBKTLZMBN-DEAFZEICSA-N

Molecular Weight

  • 713.7803
 
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Names and Synonyms

Synonym

  • Dihydroergocornine tartrate

Systematic Name

  • Ergocornine, dihydro-, tartrate

Registry Numbers

CAS Registry Number

  • 102366-78-9

System Generated Number

  • 0102366789

Structure Descriptors

InChI

1S/C31H41N5O5.C4H6O6/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;5-1(3(7)8)2(6)4(9)10/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37);1-2,5-6H,(H,7,8)(H,9,10)/t19-,21?,23-,24+,26+,30-,31+;/m1./s1

InChIKey

JQWRQBBKTLZMBN-DEAFZEICSA-N

Smiles

CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4CC5c6cccc7c6c(c[nH]7)C[C@H]5N(C4)C)O.C(C(C(=O)O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 intravenous 35mg/kg (35mg/kg)   Bulletin der Schweizerischen Akademie der Medizinischen Wissenschaften. Vol. 2, Pg. 1, 1946/1947.