Quadrigemine A
[CAS# 69937-02-6]

Identification

• Name: Quadrigemine A
• Synonyms: C09234; Quadrigemine A; Quadrigemine B
• Molecular Formula: C₄₄H₅₀N₈
• Molecular Weight: 690.93
• CAS Registry Number: 69937-02-6
• SMILES: C%12=C8C7(C15C(N(CC1)C)NC6=C(C23C(N(CC2)C)NC4=CC=CC=C34)C=CC=C56)C(N(CC7)C)NC8=C(C9%10C(N(CC9)C)NC%11=CC=CC=C%10%11)C=C%12
• InChI: 1S/C44H50N8/c1-49-23-19-41(27-11-5-7-17-33(27)45-37(41)49)29-13-9-15-31-35(29)47-39-43(31,21-25-51(39)3)44-22-26-52(4)40(44)48-36-30(14-10-16-32(36)44)42-20-24-50(2)38(42)46-34-18-8-6-12-28(34)42/h5-18,37-40,45-48H,19-26H2,1-4H3
• InChIKey: XRCKDTICIIHERM-UHFFFAOYSA-N

Properties

• Density: 1.276g/cm³ (Cal.)