258377

Protoporphyrin IX dimethyl ester

from ox hemin

• Synonym(s): Dimethyl 8,13-divinyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate, Ooporpyhrin dimethyl ester
• Empirical Formula (Hill Notation): C₃₆H₃₈N₄O₄
• CAS Number: 5522-66-7
• Molecular Weight: 590.71
• Beilstein/REAXYS Number: 381574
• EC Number: 226-870-3
• MDL number: MFCD00064531
• UNSPSC Code: 12352103

Properties

• mp: 225-228 °C (lit.)
• SMILES string: COC(=O)CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)OC)c5C)c(C)c4C=C)c(C)c3C=C
• InChI: 1S/C36H38N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h9-10,15-18,38-39H,1-2,11-14H2,3-8H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-
• InChI key: XNCGCBXDDMJCKW-MFBGAUBSSA-N

Description

Application

Protoporphyrin IX dimethyl ester has been demonstrated to a potent photosensitizer of human nasopharyngeal carcinoma.