Uroporphyrin i dihydrochloride

• CAS: 68929-06-6
• Catalog Number: ACM68929066
• Category: Other Products
• Molecular Weight: 903.67
• Molecular Formula: C₄₀H₄₀Cl₂N₄O₁₆
• Synonyms: UroporphyrinIdihydrochloride; 21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetrakis(carboxymethyl)-, hydrochloride (1:2); 3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,22-dihydroporphyrin-2-yl]propanoic acid dihydrochloride; 21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetrakis(carboxymethyl)-, dihydrochloride; Uroporphyrin I dihydrochloride
• IUPAC Name: 3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride
• Canonical SMILES: C1=C2C(=C(C(=CC3=NC(=CC4=NC(=CC5=C(C(=C1N5)CCC(=O)O)CC(=O)O)C(=C4CC(=O)O)CCC(=O)O)C(=C3CC(=O)O)CCC(=O)O)N2)CCC(=O)O)CC(=O)O.Cl.Cl
• InChI: InChI=1S/C40H38N4O16.2ClH/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29;;/h13-16,41-42H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60);2*1H
• InChI Key: PCBBNDJUGHWSIE-UHFFFAOYSA-N
• Storage: −20°C
• Complexity: 1630
• Covalently-Bonded Unit Count: 3
• EC Number: 273-038-0
• Exact Mass: 902.182g/mol
• H-Bond Acceptor: 18
• H-Bond Donor: 12
• Heavy Atom Count: 62
• Monoisotopic Mass: 902.182g/mol
• Rotatable Bond Count: 20
• Topological Polar Surface Area: 356A^2