Catalog Number:
AG006D94
Chemical Name:
21H,23H-Porphine-2,7,12,17-tetrapropanoicacid, 3,8,13,18-tetramethyl-, hydrochloride (1:2)
CAS Number:
69477-27-6
Molecular Formula:
C36H40Cl2N4O8
Molecular Weight:
727.6308
MDL Number:
MFCD00013469
IUPAC Name:
3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride
InChI:
InChI=1S/C36H38N4O8.2ClH/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29;;/h13-16,37-38H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48);2*1H
InChI Key:
QZFMPEREASVDBB-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1=C(C)C2=Cc3[nH]c(c(c3CCC(=O)O)C)C=C3N=C(C=c4[nH]c(=CC1=N2)c(C)c4CCC(=O)O)C(=C3CCC(=O)O)C.Cl.Cl
