Uroporphyrin I Dihydrochloride
[CAS# 68929-06-6]

Identification

• Name: Uroporphyrin I Dihydrochloride
• Synonyms: 3,8,13,18-Tetrakis(Carboxymethyl)-21H,23H-Porphine-2,7,12,17-Tetrapropionic Acid Dihydrochloride; Uroporphyrin I Dihydrochloride
• Molecular Formula: C₄₀H₄₀Cl₂N₄O₁₆
• Molecular Weight: 903.68
• CAS Registry Number: 68929-06-6
• EINECS: 273-038-0
• SMILES: [NH]4C5=CC1=C(C(=C([NH]1)C=C2N=C(C(=C2CC(O)=O)CCC(O)=O)C=C3N=C(C(=C3CC(O)=O)CCC(O)=O)C=C4C(=C5CCC(O)=O)CC(O)=O)CCC(O)=O)CC(O)=O.[H+].[H+].[Cl-].[Cl-]
• 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
• InChIKey: PCBBNDJUGHWSIE-UHFFFAOYSA-N

Properties

• Boiling point: 1542.6°C at 760 mmHg (Cal.)
• Flash point: 886.7°C (Cal.)