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dihydroergocornine mesylate

CHEBI:CHEBI_34502

Definition

The methanesulfonic acid salt of 9,10-dihydroergocornine. It is a component of ergoloid mesylate (codergocrine mesilate), a mixture of ergot alkaloid derivatives that is used as a vasodilator and has shown mild benefits in the treatment of vascular dementia.

Chemical Information

Molecular Formula
C32H45N5O8S
Molecular Mass
659.79300
Charge
0
SMILES
CS(O)(=O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](C(C)C)C(=O)N3CCC[C@@]23[H])C1=O)C(C)C
InChI
InChI=1S/C31H41N5O5.CH4O3S/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;1-5(2,3)4/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37);1H3,(H,2,3,4)/t19-,21-,23-,24+,26+,30-,31+;/m1./s1
InChIKey
UOOWRCRLTSXSAV-GSZJWLEYSA-N

Alternative Names

  • (10alphaH)-12'-hydroxy-3',6',18-trioxo-2',5'alpha-di(propan-2-yl)-9,10-dihydroergotaman methanesulfonate
  • 9,10-dihydroergocornine mesylate
  • dihydroergocornine methanesulfonate

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

oboInOwl#hasDbXref
KEGG:C14053
core#notation
CHEBI:34502

Additional References

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect20775
BFO_0000051
http://purl.obolibrary.org/obo/CHEBI_59909
owl#annotatedSource
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owl#someValuesFrom
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oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
KEGG:C14053
oboInOwl#id
CHEBI:34502
core#notation
CHEBI:34502
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_4820
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class