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Substance Name: Flurdihydroergotamine
RN: 1416417-27-0
UNII: 2UA31Z29H1
InChIKey: FNVRIGFDIUORGI-XEMULFGESA-N

Molecular Formula

  • C34-H36-F3-N5-O5

Molecular Weight

  • 651.6824
 
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Names and Synonyms

Name of Substance

  • Flurdihydroergotamine

Synonyms

  • 2-(Trifluoromethyl)dihydroergotamine
  • 5'alpha-Benzyl-12'-hydroxy-2'-methyl-2-(trifluoromethyl)- (10alpha)-9,10-dihydroergotaman-3',6',18-trione
  • Flurdihydroergotamine
  • Flurdihydroergotamine [INN]
  • UNII-2UA31Z29H1

Registry Numbers

CAS Registry Number

  • 1416417-27-0

FDA UNII

  • 2UA31Z29H1

System Generated Number

  • 1416417270

Structure Descriptors

InChI

1S/C34H36F3N5O5/c1-32(31(45)42-25(14-18-8-4-3-5-9-18)30(44)41-13-7-12-26(41)34(42,46)47-32)39-29(43)19-15-21-20-10-6-11-23-27(20)22(16-24(21)40(2)17-19)28(38-23)33(35,36)37/h3-6,8-11,19,21,24-26,38,46H,7,12-17H2,1-2H3,(H,39,43)/t19-,21-,24-,25+,26+,32-,34+/m1/s1

InChIKey

FNVRIGFDIUORGI-XEMULFGESA-N

Smiles

CN1C[C@@H](C[C@H]2[C@H]1Cc3c([nH]c4cccc2c34)C(F)(F)F)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O