Dihydro-alpha-ergocryptine mesylate

Base Information

• Chemical Name: Dihydro-alpha-ergocryptine mesylate
• CAS No.: 29261-93-6
• Molecular Formula: C33H47N5O8S
• Molecular Weight: 673.82
• European Community (EC) Number: 249-537-4,238-163-7
• UNII: Z4I7BU58DN
• DSSTox Substance ID: DTXSID20931605
• Wikidata: Q27114324
• NCI Thesaurus Code: C75933
• RXCUI: 1426902
• ChEMBL ID: CHEMBL3707289
• Mol file: 29261-93-6.mol

Synonyms:Almirid;Cripar;Dihydroergocryptine;Dihydroergocryptine Mesylate;Dihydroergocryptine Monomesylate;Dihydroergokryptine Mesylate;Dihydroergokryptine Monomesylate;Mesylate, Dihydroergocryptine;Mesylate, Dihydroergokryptine;Monomesylate, Dihydroergocryptine;Monomesylate, Dihydroergokryptine

Chemical Property of Dihydro-alpha-ergocryptine mesylate

Chemical Property:

• Boiling Point: 848.7°Cat760mmHg
• Flash Point: 467.1°C
• PSA: 184.45000
• Density: g/cm³
• LogP: 3.75940
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 673.31453465
• Heavy Atom Count: 47
• Complexity: 1230

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O.CS(=O)(=O)O
• Isomeric SMILES: CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O.CS(=O)(=O)O