Coproporphyrin i dihydrochloride

• Catalog Number: ACM69477276
• Product Name: Coproporphyrin i dihydrochloride
• CAS: 69477-27-6
• Category: Heterocyclic Organic Compound
• Synonyms: 21H,23H-Porphine-2,7,12,17-tetrapropanoicacid, 3,8,13,18-tetramethyl-, hydrochloride (1:2); Coproporphyrin I dihydrochloride; MFCD00013469; CTK2F6131; 69477-27-6; Coproporphyrin I dihydrochloride (synthetic)
• IUPAC Name: 3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride
• Molecular Weight: 727.63
• Molecular Formula: C₃₆H₄₀Cl₂N₄O₈
• Canonical SMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CCC(=O)O)C)C(=C4C)CCC(=O)O)C(=C3C)CCC(=O)O)CCC(=O)O.Cl.Cl
• InChI: InChI=1S/C36H38N4O8.2ClH/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29;;/h13-16,37-38H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48);2*1H
• InChI Key: QZFMPEREASVDBB-UHFFFAOYSA-N
• Storage: −20°C
• Complexity: 1170
• Covalently-Bonded Unit Count: 3
• Exact Mass: 726.222g/mol
• H-Bond Acceptor: 10
• H-Bond Donor: 8
• Heavy Atom Count: 50
• Monoisotopic Mass: 726.222g/mol
• Rotatable Bond Count: 12
• Topological Polar Surface Area: 207A^2