ChemSpider 2D Image | MFCD00153792 | C36H45N5O8S

MFCD00153792

  • Molecular FormulaC36H45N5O8S
  • Average mass707.836 Da
  • Monoisotopic mass707.298889 Da
  • ChemSpider ID392057

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5'a,10a)-9,10-Dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione Monomethanesulfonate (Salt)
(5'α,10α)-5'-Benzyl-12'-hydroxy-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman methanesulfonate (1:1) [ACD/IUPAC Name]
246-434-6 [EINECS]
24730-10-7 [RN]
5'a-Benzyl-9,10a-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione Monomethanesulphonate
9,10-Dihydroergocristine methanesulfonate
9,10-Dihydroergocristine Monomethanesulfonate (Salt)
Acide méthanesulfonique - (5'α,10α)-5'-benzyl-12'-hydroxy-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman (1:1) [French] [ACD/IUPAC Name]
dihydroergocristine (mesylate)
dihydroergocristine mesilate
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DS7CL18UAM [DBID]
CCRIS 6730 [DBID]
D02400 [DBID]
D155_SIGMA [DBID]
EU-0100409 [DBID]
MLS000069354 [DBID]
Prestwick_745 [DBID]
SMR000058240 [DBID]
UNII:DS7CL18UAM [DBID]
UNII-DS7CL18UAM [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      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 vasc ular 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. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31490, CHEBI:31490

    • Bio Activity:

      5-HT antagonist. Also partial agonist at adrenergic and dopaminergic receptors. Hello Bio HB1611
      5-HT receptor antagonist; partial agonist at adrenergic and dopaminergic receptors. Tocris Bioscience 0474, 474
      7-TM Receptors Tocris Bioscience 474
      Adrenergic Receptors Tocris Bioscience 474
      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB1611
      Non-selective Adrenergic Alpha Receptors Tocris Bioscience 474
      Partial ? agonist. Non-selective Tocris Bioscience 0474, 474
      Partial alpha agonist. Non-selective Tocris Bioscience 474
      Receptors & Transporters/G protein coupled receptors/5-HT/Non-selective Hello Bio HB1611
      Receptors & Transporters/G protein coupled receptors/Dopamine/Non-selective Hello Bio HB1611

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Click to predict properties on the Chemicalize site


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