CHEBI:31490 - dihydroergocristine mesylate

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ChEBI Name dihydroergocristine mesylate
ChEBI ID 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB7447208, eMolecules:537009
Download Molfile XML SDF
Formula C36H45N5O8S
Net Charge 0
Average Mass 707.83600
Monoisotopic Mass 707.29888
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
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
Roles Classification
Biological Role(s): alpha-adrenergic antagonist
An agent that binds to but does not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous alpha-adrenergic agonists. alpha-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
Application(s): alpha-adrenergic antagonist
An agent that binds to but does not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous alpha-adrenergic agonists. alpha-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
vasodilator agent
A drug used to cause dilation of the blood vessels.
geroprotector
Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing dihydroergocristine mesylate (CHEBI:31490) has part dihydroergocristine (CHEBI:59912)
dihydroergocristine mesylate (CHEBI:31490) has role α-adrenergic antagonist (CHEBI:37890)
dihydroergocristine mesylate (CHEBI:31490) has role geroprotector (CHEBI:176497)
dihydroergocristine mesylate (CHEBI:31490) has role vasodilator agent (CHEBI:35620)
dihydroergocristine mesylate (CHEBI:31490) is a methanesulfonate salt (CHEBI:38037)
Incoming ergoloid mesylate (CHEBI:34706) has part dihydroergocristine mesylate (CHEBI:31490)
IUPAC Name
(10αH)-5'α-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman methanesulfonate
Synonyms Sources
5'alpha-Benzyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate KEGG COMPOUND
9,10-dihydroergocristine mesilate ChEBI
9,10-dihydroergocristine mesylate ChEBI
9,10-dihydroergocristine methanesulfonate ChemIDplus
dihydroergocristine mesilate ChEBI
Dihydroergocristine mesylate KEGG COMPOUND
dihydroergocristine methanesulfonate ChemIDplus
Dihydroergocristinmesilat ChemIDplus
Manual Xrefs Databases
392057 ChemSpider
C13168 KEGG COMPOUND
D07833 KEGG DRUG
DBSALT002618 DrugBank
View more database links
Registry Numbers Types Sources
24730-10-7 CAS Registry Number ChemIDplus
3896115 Beilstein Registry Number Beilstein
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Last Modified
26 October 2021