Mesoporphyrin IX dihydrochloride

• CAS: 68938-72-7
• Catalog Number: ACM68938727
• Category: Other Products
• Molecular Weight: 639.618g/mol
• Molecular Formula: C34H40Cl2N4O4
• Synonyms: 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, dihydrochloride; Mesoporphyrin IX, dihydrochloride; EINECS 273-141-0; SCHEMBL1044115; 7,12-Diethyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropionic acid; 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, hydrochloride (1:2); MFCD00136049
• IUPAC Name: 3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride
• Canonical SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C)CC)C.Cl.Cl
• 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
• Storage: -20°C
• Complexity: 949
• Covalently-Bonded Unit Count: 3
• EC Number: 207-782-4
• Exact Mass: 638.243g/mol
• H-Bond Acceptor: 6
• H-Bond Donor: 6
• Heavy Atom Count: 44
• Monoisotopic Mass: 638.243g/mol
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 132A^2