Dihydroergosine tartrate

Base Information

• Chemical Name: Dihydroergosine tartrate
• CAS No.: 73986-92-2
• Molecular Formula: C34H45N5O11
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID00995245
• Mol file: 73986-92-2.mol

Synonyms:Dihydroergosine tartrate;Ergosine, dihydro-, tartrate;73986-92-2;DTXSID00995245;C30H39N5O5.C4H6O6;LS-64529;C30-H39-N5-O5.C4-H6-O6;2,3-Dihydroxybutanedioic acid--N-[10b-hydroxy-2-methyl-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-6-methylergoline-8-carboximidic acid (1/1);Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'.alpha.,10.alpha.)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) (salt)

Chemical Property of Dihydroergosine tartrate

Chemical Property:

• PSA: 236.76000
• LogP: 0.41590
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 699.31155727
• Heavy Atom Count: 50
• Complexity: 1220

Purity/Quality:

DIHYDRO-ERGOSINE TARTRATE 95.00% ^*data from reagent 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)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O.C(C(C(=O)O)O)(C(=O)O)O
• Isomeric SMILES: CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O