Bisdequalinium diacetate
[CAS# 16776-40-2]

Identification

• Name: Bisdequalinium diacetate
• Synonyms: Bisdequalinium Diacetate; Bisdequalinium Diacetate (Jan); D01509
• Molecular Formula: C₄₄H₆₄N₄O₄
• Molecular Weight: 713.01
• CAS Registry Number: 16776-40-2
• SMILES: [N+]12=C5C(=C(C=C1C)NCCCCCCCCCCNC3=C4C(=[N+](CCCCCCCCCC2)C(=C3)C)C=CC=C4)C=CC=C5.CC(=O)[O-].CC(=O)[O-]
• InChI: 1S/C40H56N4.2C2H4O2/c1-33-31-37-35-23-15-17-25-39(35)43(33)29-21-13-9-5-6-10-14-22-30-44-34(2)32-38(36-24-16-18-26-40(36)44)42-28-20-12-8-4-3-7-11-19-27-41-37;2*1-2(3)4/h15-18,23-26,31-32H,3-14,19-22,27-30H2,1-2H3;2*1H3,(H,3,4)
• InChIKey: GCWKUHNKKWYKOP-UHFFFAOYSA-N