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dihydroergocristine mesylate

CHEBI:CHEBI_31490

Definition

The methanesulfonic acid salt of dihydroergocristine. It has been used as the for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease. It is also 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
C36H45N5O8S
Molecular Mass
707.83600
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](Cc3ccccc3)C(=O)N3CCC[C@@]23[H])C1=O)C(C)C
InChI
InChI=1S/C35H41N5O5.CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);1H3,(H,2,3,4)/t23-,25-,27-,28+,29+,34-,35+;/m1./s1
InChIKey
SPXACGZWWVIDGR-SPZWACKZSA-N

Alternative Names

  • (10alphaH)-5'alpha-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman methanesulfonate
  • 5'alpha-Benzyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate
  • 9,10-dihydroergocristine mesilate
  • 9,10-dihydroergocristine mesylate
  • 9,10-dihydroergocristine methanesulfonate
  • dihydroergocristine mesilate
  • Dihydroergocristine mesylate
  • dihydroergocristine methanesulfonate
  • Dihydroergocristinmesilat

Treatment Applications

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:D07833
core#notation
CHEBI:31490

Additional References

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Additional Attributes

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chebi_ontology
oboInOwl#hasDbXref
KEGG:D07833
oboInOwl#id
CHEBI:31490
core#notation
CHEBI:31490
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_176497
BFO_0000051
http://purl.obolibrary.org/obo/CHEBI_34706
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
rdf-schema#range
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rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect16799
owl#annotatedSource
t180261
owl#someValuesFrom
t197318