Cedilanid

Base Information

• Chemical Name: Cedilanid
• CAS No.: 17575-22-3
• Molecular Formula: C₄₉H₇₆O₂₀
• Molecular Weight: 985.13
• NSC Number: 119991,7533
• DSSTox Substance ID: DTXSID20860209
• Wikidata: Q105124140
• ChEMBL ID: CHEMBL110309
• Mol file: 17575-22-3.mol

Synonyms:Allocor;Cedilanid;Ceglunat;Celanide;isolanid;lanatigen C;lanatoside C;Lanocide

Chemical Property of Cedilanid

Chemical Property:

• Melting Point: 272-274°C
• Refractive Index: 1.7630 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: 12.89±0.70(Predicted)
• Flash Point: °C
• PSA: 288.28000
• Density: 1.42g/cm³
• LogP: 0.61310
• Storage Temp.: −20°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 12
• Exact Mass: 984.49299481
• Heavy Atom Count: 69
• Complexity: 1870

Purity/Quality:

98% ^*data from raw suppliers

Lanatoside C ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O
• Uses: anti-acne Glycosides
• Therapeutic Function: Cardiotonic