Xcytrin
[CAS# 246252-06-2]

Identification

• Name: Xcytrin
• Synonyms: Pci 0120; Api-Gp 3; Gadolinium Texaphyrin
• Molecular Formula: C₅₂H₇₅GdN₅O₁₄
• Molecular Weight: 1151.44
• CAS Registry Number: 246252-06-2
• SMILES: N/1\C2=C/C5=N\C(=C/C4=N\C(=C/N=C3C(=N/C=C1C(=C2CCCO)C)C=C(OCCOCCOCCOC)C(=C3)OCCOCCOCCOC)C(=C4CCCO)C)C(=C5CC)CC.CC(O)=O.O=C(O)C.[Gd]
• InChI: 1S/C48H67N5O10.2C2H4O2.Gd/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;/h27-32,52,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);/b39-27?,40-28-,41-27-,42-28?,45-31-,46-32-,49-31?,49-43?,50-32?,50-44?
• InChIKey: NKIFDOBTALZNCH-IBIWUDCTSA-N