Dihydro-beta-ergocryptine mesylate

Base Information

• Chemical Name: Dihydro-beta-ergocryptine mesylate
• CAS No.: 65914-79-6
• Molecular Formula: C33H47N5O8S
• Molecular Weight: 673.82
• European Community (EC) Number: 265-975-9
• UNII: 79Y4U49I29
• DSSTox Substance ID: DTXSID00984391
• Wikidata: Q27266789
• NCI Thesaurus Code: C75935
• RXCUI: 1426905

Synonyms:Dihydro-beta-ergocryptine mesylate;UNII-79Y4U49I29;EINECS 265-975-9;65914-79-6;79Y4U49I29;5'alpha(S)-sec-Butyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate;Dihydro-.beta.-ergocryptine mesilate;Dihydro-.beta.-ergocryptine mesylate;EPICRIPTINE MESILATE;EPICRIPTINE MESYLATE;DTXSID00984391;DIHYDROERGOCRYPTINE BETA-MESILATE;DIHYDROERGOCRYPTINE BETA-MESILATE [WHO-DD];Q27266789;9,10-.ALPHA.-DIHYDRO-13'-EPI-.BETA.-ERGOCRYPTINE MESILATE (SALT);9,10-.ALPHA.-DIHYDRO-13'-EPI-.BETA.-ERGOCRYPTINE MESYLATE (SALT);N-[5-(Butan-2-yl)-10b-hydroxy-3,6-dioxo-2-(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-6-methylergoline-8-carboximidic acid--methanesulfonic acid (1/1)

Chemical Property of Dihydro-beta-ergocryptine mesylate

Chemical Property:

• Boiling Point: 951.8°Cat760mmHg
• Flash Point: 529.4°C
• PSA: 180.96000
• Density: g/cm³
• LogP: 3.31000
• 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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1C(=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@H](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

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