Dihydroergocristine mesylate

Base Information

• Chemical Name: Dihydroergocristine mesylate
• CAS No.: 24730-10-7
• Deprecated CAS: 25377-54-2,22288-21-7,27400-83-5,29261-92-5,27400-83-5,29261-92-5
• Molecular Formula: C36H45N5O8S
• Molecular Weight: 707.848
• Hs Code.: 29396900
• European Community (EC) Number: 246-434-6
• UNII: DS7CL18UAM
• DSSTox Substance ID: DTXSID20872322
• Wikidata: Q27114325
• NCI Thesaurus Code: C75939
• RXCUI: 42645
• Pharos Ligand ID: 9MZ5KQTWRZH5
• ChEMBL ID: CHEMBL1255837
• Mol file: 24730-10-7.mol

Synonyms:Diertine;Dihydroergocristine;Dihydroergocristine Mesylate;Dihydroergocristine Monomesylate;Enirant;Ergodavur;Mesylate, Dihydroergocristine;Monomesylate, Dihydroergocristine

Chemical Property of Dihydroergocristine mesylate

Chemical Property:

• Appearance/Colour: White or almost white, fine crystalline powder.
• Vapor Pressure: 8.49E-35mmHg at 25°C
• Melting Point: 210 °C
• Boiling Point: 899.3 °C at 760 mmHg
• Flash Point: 497.7 °C
• PSA: 180.96000
• LogP: 3.50660
• Storage Temp.: Store at RT
• Solubility.: H2O: 10 mg/mL
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 707.29888458
• Heavy Atom Count: 50
• Complexity: 1300

Purity/Quality:

99.0% ^*data from raw suppliers

Dihydroergocristine mesylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O
• Isomeric SMILES: CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O
• Uses: 5-HT receptor antagonist; partial agonist at adrenergic and dopaminergic receptors Alpha receptor blocking 4,10-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.