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;
Molecular Weight
903.67
Molecular Formula
C40H40Cl2N4O16
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
