Dihydroergocristine Mesylate
Basic information
- CAS
24730-10-7- Standard SMILES
CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O.CS(=O)(=O)O- InChIKey
SPXACGZWWVIDGR-SPZWACKZSA-N- Molecular formula
- C36H45N5O8S
- Average molar mass
- 707.8 g/mol
- Monoisotopic mass
- 707.29888458
Overview
Dihydroergocristine mesylate is 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. It has a role as a geroprotector, a vasodilator agent and an alpha-adrenergic antagonist. It contains a dihydroergocristine.
Names & identifiers
- Preferred name
- Dihydroergocristine Mesylate
- IUPAC
- (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
- English name
- Dihydroergocristine mesylate
- Molecular formula
- C35H41N5O5.CH4O3S
- Molecular weight
- 707.84
Names & synonyms
DIHYDROERGOCRISTINE MESYLATE24730-10-7Dihydroergocristine mesilate9,10-Dihydroergocristine methanesulfonateDihydroergocristinmesilatDS7CL18UAMDihydroergocristine methanesulfonateDihydroergocristine MonomesylateCHEBI:31490DTXSID208723225'alpha-Benzyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonateErgotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha,10alpha)-, monomethanesulfonate (salt)
Show more names
C13168DHEC (mesylate)Dihydroergocristine mesilate CRSDihydroergocristine mesilate (D1945000)dihydroergocristine methanesulfonate saltDIHYDROERGOCRYSTINE METHANESULFONATE SALTDihydroergocristine Mesilate For Assay CRS
RefChem:60099Mesylate, DihydroergocristineMonomesylate, DihydroergocristineDTXCID50819962246-434-6Dihydroergocristine (mesylate)oxamide methanesulfonateMLS000069354
Properties
Computed structural properties
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,300
Physicochemical properties
- Melting point
- 210 °C · 210 °C
- storage temp.
- Store at RT
- solubility
- 2 O: · H2O: 10 mg/mL
- form
- Solid
- color
- White to off-white
- InChIKey
- SPXACGZWWVIDGR-NKQTVNRENA-N
- FDA UNII
- 7 CL18UAM · DS7CL18UAM
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303
- Precautionary statements
- 270 · P270-P301+P312-P403-P501c
- RIDADR
- 1544 · UN 1544 6.1/PG 2
- WGK Germany
- 2 · 2
- RTECS
- 7600000 · KE7600000
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- HS Code
- 29396900 · 29396900
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 2
- rtecs
- KE7600000
- ridadr
- UN 1544 6.1/PG 2
- hs_code
- 29396900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H303
- Precautionary statements
- P270-P301+P312-P403-P501c
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs used to cause dilation of the blood vessels.
Drugs that bind to but do not activate ADRENERGIC RECEPTORS. Adrenergic antagonists block the actions of the endogenous adrenergic transmitters EPINEPHRINE and NOREPINEPHRINE.
Applications
Uses5-HT receptor antagonist; partial agonist at adrenergic and dopaminergic receptors
UsesAlpha receptor blocking
Uses4,10-Dihydroergocristine Methanesulfonate is an nontoxic and well tolerated drug that exerts agonistic and antagonistic activity on dopaminergic and adrenergic receptors. 4,10-Dihydroergocristine Meth anesulfonate is known to exhibit protective properties to the brain against metabolic effects of ischemia by acting at a cellular level.
Additional notes
DefinitionChEBI: 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 mesylat (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.
Related reactions
0 records
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Compound notes
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