Synonym: Dimethyl 8,13-divinyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate; Ooporpyhrin dimethyl ester
CAS Number: 5522-66-7
Empirical Formula (Hill Notation): C36H38N4O4
Molecular Weight: 590.71
EC Number: 226-870-3
MDL Number: MFCD00064531
Linear Formula: C36H38N4O4
Product Type: Chemical
assay |
~90% (HPLC) |
form |
powder |
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 |
mp |
225-228 °C (lit.) |
Quality Level |
100 |
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 |
solubility |
acetone: soluble |
|
chloroform: soluble |
|
diethyl ether: soluble |
|
DMSO: soluble |
|
ethyl acetate: soluble |
|
methanol: soluble |
|
THF: soluble |
Application: |
Protoporphyrin IX dimethyl ester has been demonstrated to a potent photosensitizer of human nasopharyngeal carcinoma. |
Packaging: |
Bottomless glass bottle. Contents are inside inserted fused cone. |
RIDADR |
NONH for all modes of transport |
WGK Germany |
WGK 3 |
Flash Point(F) |
Not applicable |
Flash Point(C) |
Not applicable |
Purity |
~90% (HPLC) |
mp |
225-228 °C (lit.) |
UNSPSC |
12171500 |