CID 6713918

Base Information

• Chemical Name: CID 6713918
• CAS No.: 5989-77-5
• Molecular Formula: C66H74N10O10•C4H6O6
• Molecular Weight: 1317.60
• European Community (EC) Number: 227-816-1
• Mol file: 5989-77-5.mol

Synonyms:Dihydroergotamine tartrate;5989-77-5;Prestwick0_000150;Prestwick1_000150;Prestwick2_000150;SPBio_002199;SCHEMBL3456459

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of CID 6713918

Chemical Property:

• Vapor Pressure: 8.09E-35mmHg at 25°C
• Melting Point: 205 °C (decomp)(Solv: methanol, 95% (67-56-1))
• Refractive Index: -55 ° (C=1, Pyridine)
• Boiling Point: 899.5oC at 760 mmHg
• Flash Point: 497.8oC
• PSA: 351.48000
• LogP: 2.44880
• Solubility.: Very slightly soluble in water, sparingly soluble in alcohol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 733.29590720
• Heavy Atom Count: 53
• Complexity: 1300

Purity/Quality:

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.C(C(C(=O)O)O)(C(=O)O)O
• Isomeric SMILES: 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.C(C(C(=O)O)O)(C(=O)O)O
• Uses: Dihydroergotamine (+)-tartrate salt is a vascular serotonin receptor activator. In addition, it has been shown to induce lung cancer cell death through apoptosis and mitophagy. Antimigraine;Serotonine antagonist