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Substance Name: Ergonovine tartrate
RN: 129-50-0
UNII: 54E5P4SD4U
InChIKey: LCWZQWWOZZUXTM-TVOBTDOISA-N

Note

  • An ergot alkaloid ( ERGOT ALKALOIDS) with uterine and VASCULAR SMOOTH MUSCLE contractile properties.

Molecular Formula

  • C19-H23-N3-O2.1/2C4-H6-O6

Molecular Weight

  • 800.9048
 

Classification Codes

  • Oxytocics
  • Reproductive Control Agents
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Names and Synonyms

Name of Substance

  • Ergonovine tartrate

Synonyms

  • Basergin
  • EINECS 204-951-4
  • Ergobasine tartrate
  • Ergometrine tartrate
  • Neofemergen
  • Neofermergen
  • UNII-54E5P4SD4U

Systematic Name

  • Ergometrine tartrate

Registry Numbers

CAS Registry Number

  • 129-50-0

FDA UNII

  • 54E5P4SD4U

System Generated Number

  • 0000129500

Molecular Formulas

Molecular Formula

  • C19-H23-N3-O2.1/2C4-H6-O6

Molecular Formula Fragments

  • C19-H23-N3-O2
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/2C19H23N3O2.C4H6O6/c2*1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13;5-1(3(7)8)2(6)4(9)10/h2*3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24);1-2,5-6H,(H,7,8)(H,9,10)/t2*11-,13+,17+;1-,2-/m001/s1

InChIKey

LCWZQWWOZZUXTM-TVOBTDOISA-N

Smiles

C[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34.C[C@@H](CO)NC(=O)[C@H]5CN(C)[C@@H]6Cc7c[nH]c8cccc(C6=C5)c78.O[C@H]([C@@H](O)C(=O)O)C(=O)O