Catalog Number:
AG00IBVW
Chemical Name:
Mesoporphyrin IX dihydrochloride
CAS Number:
68938-72-7
Molecular Formula:
C34H40Cl2N4O4
Molecular Weight:
639.6118
MDL Number:
MFCD00136049
IUPAC Name:
3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride
InChI:
InChI=1S/C34H38N4O4.2ClH/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h13-16,35-36H,7-12H2,1-6H3,(H,39,40)(H,41,42);2*1H
InChI Key:
YUIUEEROGVTICN-UHFFFAOYSA-N
SMILES:
CCC1=C(C)/C/2=C/c3[nH]c(c(c3CC)C)/C=C/3\N=C(/C=c/4\[nH]/c(=C\C1=N2)/c(C)c4CCC(=O)O)C(=C3C)CCC(=O)O.Cl.Cl
