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Substance Name: Metergotamine [INN]
RN: 22336-84-1
UNII: V7O172Q572
InChIKey: SZUQJDJBJHBVBO-CTTKVJGISA-N

Molecular Formula

  • C34-H37-N5-O5

Molecular Weight

  • 595.696
 
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Names and Synonyms

Name of Substance

  • 1-Methylergotamine
  • Metergotamine [INN]

Synonyms

  • 1-Methylergotamin
  • Metergotamina
  • Metergotamina [INN-Spanish]
  • Metergotamina [Spanish]
  • Metergotamine
  • Metergotaminum
  • Metergotaminum [INN-Latin]
  • Metergotaminum [Latin]
  • MY-25 [as bitartrate]
  • UNII-V7O172Q572

Systematic Name

  • 1-Methylergotamine

Registry Numbers

CAS Registry Number

  • 22336-84-1

FDA UNII

  • V7O172Q572

System Generated Number

  • 0022336841

Structure Descriptors

InChI

1S/C34H37N5O5/c1-33(32(42)39-27(15-20-9-5-4-6-10-20)31(41)38-14-8-13-28(38)34(39,43)44-33)35-30(40)22-16-24-23-11-7-12-25-29(23)21(18-36(25)2)17-26(24)37(3)19-22/h4-7,9-12,16,18,22,26-28,43H,8,13-15,17,19H2,1-3H3,(H,35,40)/t22-,26-,27+,28+,33-,34+/m1/s1

InChIKey

SZUQJDJBJHBVBO-CTTKVJGISA-N

Smiles

C1CC[C@H]2[C@@]3(O)N([C@H](C(N12)=O)Cc1ccccc1)C([C@@](NC([C@H]1C[N@@]([C@@H]2Cc4c5c(C2=C1)cccc5n(c4)C)C)=O)(C)O3)=O