Squalamine

Base Information

• Chemical Name: Squalamine
• CAS No.: 148717-90-2
• Molecular Formula: C34H65 N3 O5 S
• Molecular Weight: 627.96
• UNII: F8PO54Z4V7
• DSSTox Substance ID: DTXSID40869971
• Nikkaji Number: J791.550K
• Wikipedia: Squalamine
• Wikidata: Q15427852
• NCI Thesaurus Code: C143004
• ChEMBL ID: CHEMBL444929
• Mol file: 148717-90-2.mol

Synonyms:3beta-N-1-(N-(3-(4-aminobutyl))-1,3-diaminopropane)-7alpha,24-dihydroxy-5alpha-cholestane 24-sulfate;squalamine

Chemical Property of Squalamine

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: -3.49±0.18(Predicted)
• Flash Point: °C
• PSA: 142.29000
• Density: 1.13g/cm³
• LogP: 8.11610
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 16
• Exact Mass: 627.46449336
• Heavy Atom Count: 43
• Complexity: 976

Purity/Quality:

99%, ^*data from raw suppliers

Squalamine 98+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(CCC(C)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)NCCCNCCCCN)C)O)C)OS(=O)(=O)O
• Isomeric SMILES: C[C@H](CC[C@H](C(C)C)OS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@@H](C4)NCCCNCCCCN)C)O)C
• Recent ClinicalTrials: MSI-1256F (Squalamine Lactate) in Combination With Verteporfin in Patients With 'Wet' Age-Related Macular Degeneration (AMD)
• Recent EU Clinical Trials: A Phase 3 Multicenter, Randomized, Double-Masked, Controlled Study of Squalamine Lactate (MSI-1256F) for Injection for the Treatment of Subfoveal Choroidal Neovascularization Associated with Age-Related Macular Degeneration