UroporphyrinIdihydrochloride

Catalog Number	ACM68929066-2
CAS	68929-06-6
Structure
Synonyms	21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetrakis(carboxymethyl)-, dihydrochloride; 3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride
IUPAC Name	3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride
Molecular Weight	903.67
Molecular Formula	C40H38N4O16·2HCl
InChI	PCBBNDJUGHWSIE-UHFFFAOYSA-N
InChI Key	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
Purity	98%
Appearance	Powder
Isomeric SMILES	C1=C2C(=C(C(=CC3=NC(=CC4=NC(=CC5=C(C(=C1N5)CC(=O)O)CCC(=O)O)C(=C4CCC(=O)O)CC(=O)O)C(=C3CCC(=O)O)CC(=O)O)N2)CC(=O)O)CCC(=O)O.Cl.Cl