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Substance Name: Mergocriptine [INN]
RN: 81968-16-3
UNII: VXD47YRH4Q
InChIKey: AFFLEALSHYGOOD-NOURLPFCSA-N

Molecular Formula

  • C33-H43-N5-O5

Molecular Weight

  • 589.733
 
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Names and Synonyms

Name of Substance

  • Mergocriptine
  • Mergocriptine [INN]

Synonyms

  • Mergocriptina
  • Mergocriptina [Spanish]
  • Mergocriptine
  • Mergocriptinum
  • Mergocriptinum [Latin]
  • UNII-VXD47YRH4Q

Systematic Name

  • 2-Methyl-alpha-ergocryptine

Registry Numbers

CAS Registry Number

  • 81968-16-3

FDA UNII

  • VXD47YRH4Q

System Generated Number

  • 0081968163

Structure Descriptors

InChI

1S/C33H43N5O5/c1-17(2)13-26-30(40)37-12-8-11-27(37)33(42)38(26)31(41)32(43-33,18(3)4)35-29(39)20-14-23-21-9-7-10-24-28(21)22(19(5)34-24)15-25(23)36(6)16-20/h7,9-10,14,17-18,20,25-27,34,42H,8,11-13,15-16H2,1-6H3,(H,35,39)/t20-,25-,26+,27+,32-,33+/m1/s1

InChIKey

AFFLEALSHYGOOD-NOURLPFCSA-N

Smiles

N12[C@@]([C@H]3N(CCC3)C([C@@H]2CC(C)C)=O)(O[C@](C1=O)(NC([C@@H]1C=C2c3c4c(c(C)[nH]c4ccc3)C[C@H]2[N@@](C1)C)=O)C(C)C)O