Cabergoline diphosphate

Base Information

• Chemical Name: Cabergoline diphosphate
• CAS No.: 85329-89-1
• Molecular Formula: C26H37N5O2
• Molecular Weight: 451.60
• UNII: 477M7SA9N9
• Wikidata: Q27259027
• Mol file: 85329-89-1.mol

Synonyms:1-((6-allylergolin-8beta-yl)carbonyl)-1-(3-(dimethylamino)propyl)-3-ethylurea;1-ethyl-2-(3'-dimethylaminopropyl)-3-(6'-allylergoline-8'-beta-carbonyl)urea diphosphate;Cabaser;Cabaseril;cabergoline;cabergoline diphosphate;Dostinex;FCE 21336;FCE-21336;Galastop

Chemical Property of Cabergoline diphosphate

Chemical Property:

• Density: 1.156 g/cm³
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 647.24851658
• Heavy Atom Count: 43
• Complexity: 763

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C.OP(=O)(O)O.OP(=O)(O)O
• Isomeric SMILES: CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C.OP(=O)(O)O.OP(=O)(O)O

Refernces

• 1、 Patel, Alpa,Lewis, William,Searle, Mark S.,Stevens, Malcolm F.G.,Moody, Christopher J.. "Synthesis of 6-arylisocytosines and their potential for hydrogen bonding interactions". supporting information. p. 7339 - 7343. Retrieved 2015/08/24.
• 2、 Skulnick,Weed,Eidson,Renis,Wierenga,Stringfellow. "Pyrimidinones. 1. 2-Amino-5-halo-6-aryl-4(3H)-pyrimidinones. Interferon-inducing antiviral agents". . p. 1864 - 1869. Retrieved 2007/10/02.