Porfimer sodium
[CAS# 87806-31-3]

Identification

• Name: Porfimer sodium
• Synonyms: 21H,23H-Porphine-2,18-dipropanoic acid, 7-(1-(1-(8,12-bis(2-carboxyethyl)-17-(1-hydroxyethyl)-3,7,13,18-tetramethyl-21H,23H-porphin-2-yl)ethoxy)ethyl)-12-(1-hydroxyethyl)-3,8,13,17-tetramethyl-; DHP Ether; Dihematoporphyrin Ether
• Molecular Formula: C₆₈H₇₄N₈O₁₁
• Molecular Weight: 1179.36
• CAS Registry Number: 87806-31-3
• SMILES: O=C(O)CCC/%10=C(/c2nc\%10cc\1nc(/C(=C/1CCC(=O)O)C)cc4c(c(c(cc3c(c(c(c2)n3)C(O)C)C)n4)C(OC(c7c(c8cc5c(c(c(n5)cc/9nc(cc\6nc(/C(=C/6CCC(=O)O)C)cc7n8)\C(=C\9C)CCC(=O)O)C)C(O)C)C)C)C)C)C
• 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/h21-28,37-40,73-78H,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: UZFPOOOQHWICKY-STKOUIOXSA-N

Properties

• Density: 1.326g/cm³ (Cal.)