3-[12-(1-{1-[13,17-Bis(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,12,18-tetramethyl-2-porphyrinyl]ethoxy}ethyl)-18-(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,13,17-tetramethyl-2-porphyrinyl]propanoic acid
[CAS# 68335-15-9]

Identification

• Name: 3-[12-(1-{1-[13,17-Bis(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,12,18-tetramethyl-2-porphyrinyl]ethoxy}ethyl)-18-(2-carboxyethyl)-7-(1-hydroxyethyl)-3,8,13,17-tetramethyl-2-porphyrinyl]propanoic acid
• Synonyms: DHP Ether; Dihematoporphyrin Ether; photofrin
• Molecular Formula: C₆₈H₇₄N₈O₁₁
• Molecular Weight: 1179.36
• CAS Registry Number: 68335-15-9
• SMILES: CC\1=C(/C/2=C/C3=N/C(=C\C4=C(C(=C(N4)/C=C\5/C(=C(C(=N5)/C=C1\N2)C(C)O)C)C(C)OC(C)C6=C(C7=CC8=C(C(=C(N8)C=C9C(=C(C(=N9)C=C1C(=C(C(=CC6=N7)N1)C)CCC(=O)O)CCC(=O)O)C)C)C(C)O)C)C)/C(=C3CCC(=O)O)C)CCC(=O)O
• InChI: 1S/C68H74N8O11/c1-29-41(13-17-61(79)80)53-28-56-44(16-20-64(85)86)32(4)48(72-56)24-59-68(36(8)52(76-59)25-58-65(37(9)77)33(5)49(73-58)21-45(29)69-53)40(12)87-39(11)67-35(7)50-22-46-30(2)42(14-18-62(81)82)54(70-46)27-55-43(15-19-63(83)84)31(3)47(71-55)23-57-66(38(10)78)34(6)51(74-57)26-60(67)75-50/h21-28,37-40,71-73,75,77-78H,13-20H2,1-12H3,(H,79,80)(H,81,82)(H,83,84)(H,85,86)/b45-21-,46-22-,47-23-,48-24-,49-21-,50-22-,51-26-,52-25-,53-28-,54-27-,55-27-,56-28-,57-23-,58-25-,59-24-,60-26-
• InChIKey: VAYJWFGRGMQINH-STKOUIOXSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)

References

• (1): Tobias Kiesslich, Gernot Wolkersdörfer, Daniel Neureiter, Hermann Salmhofer and Frieder Berr. Photodynamic therapy for non-resectable perihilar cholangiocarcinoma, Photochem. Photobiol. Sci., 2009, 8, 23.