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Substance Name: Dosergoside [INN]
RN: 87178-42-5
UNII: S8674EHG6Y
InChIKey: DIPBYRMTSXMCIM-JSXVGJAVSA-N

Molecular Formula

  • C34-H53-N3-O3

Molecular Weight

  • 551.8107
 
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Names and Synonyms

Name of Substance

  • Dosergoside [INN]

Synonyms

  • Dosergoside
  • N-((1S,2R,3E)-2-Hydroxy-1-(hydroxymethyl)-3-heptadecenyl)-6-methylergoline-8beta-carboxamide
  • UNII-S8674EHG6Y

Systematic Name

  • N-((1S,2R,3E)-2-Hydroxy-1-(hydroxymethyl)-3-heptadecenyl)-6-methylergoline-8beta-carboxamide.

Registry Numbers

CAS Registry Number

  • 87178-42-5

FDA UNII

  • S8674EHG6Y

System Generated Number

  • 0087178425

Structure Descriptors

InChI

1S/C34H53N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-32(39)30(24-38)36-34(40)26-20-28-27-17-16-18-29-33(27)25(22-35-29)21-31(28)37(2)23-26/h15-19,22,26,28,30-32,35,38-39H,3-14,20-21,23-24H2,1-2H3,(H,36,40)/b19-15+/t26-,28-,30+,31-,32-/m1/s1

InChIKey

DIPBYRMTSXMCIM-JSXVGJAVSA-N

Smiles

CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1