Ditercalinium

Base Information

• Chemical Name: Ditercalinium
• CAS No.: 82765-18-2
• Molecular Formula: C46H50 N6 O2
• Molecular Weight: 718.9282
• UNII: VFS4ZUK33P
• DSSTox Substance ID: DTXSID50868314
• Nikkaji Number: J389.314F
• Wikidata: Q27291812
• NCI Thesaurus Code: C83682
• ChEMBL ID: CHEMBL1182165
• Mol file: 82765-18-2.mol

Synonyms:ditercalinium;ditercalinium acetate;ditercalinium chloride;ditercalinium chloride, dihydrochloride;ditercalinium dimethanesulfonate;ditercalinium hydrochloride;NSC 335153;NSC 366241;NSC-335153

Chemical Property of Ditercalinium

Chemical Property:

• PSA: 64.28000
• LogP: 7.85420
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 718.39952486
• Heavy Atom Count: 54
• Complexity: 1130

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)NC3=C2C4=C(C=C3)C=C[N+](=C4)CCN5CCC(CC5)C6CCN(CC6)CC[N+]7=CC8=C(C=CC9=C8C1=C(N9)C=CC(=C1)OC)C=C7

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