Analyte Name

Pentacarboxylporphyrin 1 Dihydrochloride-15N4

Molecular Formula

C37 H38 15N4 O10 . 2 HCl

Molecular Weight

775.61

Accurate Mass

774.21

SMILES

CC1=C(CCC(O)=O)/C2=C/C(C(CCC(O)=O)=C/3C)=[15N]C3=C/C4=C(CCC(O)=O)C(CC(O)=O)=C([15NH]4)/C=C(C(CCC(O)=O)=C5C)\[15N]=C5/C=C1\[15NH]2.Cl.Cl

InChI

InChI=1S/C37H38N4O10.2ClH/c1-17-20(4-8-33(42)43)28-15-29-22(6-10-35(46)47)19(3)27(40-29)14-31-23(7-11-36(48)49)24(12-37(50)51)32(41-31)16-30-21(5-9-34(44)45)18(2)26(39-30)13-25(17)38-28;;/h13-16,38,41H,4-12H2,1-3H3,(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51);2*1H/b25-13-,26-13-,27-14-,28-15-,29-15-,30-16-,31-14-,32-16-;;/i38+1,39+1,40+1,41+1;;

IUPAC

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

Unlabelled CAS Number

141407-11-6; Free Base: 28100-66-5

SIL Type

Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat