Analyte Name

Heptacarboxylporphyrin 1 Dihydrochloride-15N4

Molecular Formula

C39H38¹⁵N4O14 . 2 HCl

Molecular Weight

863.64

Accurate Mass

862.19

SMILES

CC1=C(/C2=C/C3=C(C(CCC(O)=O)=C([15NH]3)/C=C4[15N]=C(C(CCC(O)=O)=C\4CC(O)=O)/C=C5[15NH]/C(C(CC(O)=O)=C\5CCC(O)=O)=C\C1=[15N]2)CC(O)=O)CCC(O)=O.Cl.Cl

InChI

InChI=1S/C39H38N4O14.2ClH/c1-17-18(2-6-33(44)45)26-14-31-23(11-38(54)55)21(5-9-36(50)51)29(43-31)16-32-24(12-39(56)57)20(4-8-35(48)49)28(42-32)15-27-19(3-7-34(46)47)22(10-37(52)53)30(41-27)13-25(17)40-26;;/h13-16,41,43H,2-12H2,1H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57);2*1H/b25-13-,26-14-,27-15-,28-15-,29-16-,30-13-,31-14-,32-16-;;/i40+1,41+1,42+1,43+1;;

IUPAC

3,3',3'',3'''-(3,12,18-tris(carboxymethyl)-8-methylporphyrin-2,7,13,17-tetrayl-21,22,23,24-15N4)tetrapropionic acid dihydrochloride

Alternate CAS Number

65406-45-3 (Free Base)

Unlabelled CAS Number

141407-09-2

SIL Type

Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat