Catalog Number:
AG00G47C
Chemical Name:
Rhodin g7 sodium salt
CAS Number:
84581-15-7
Molecular Formula:
C34H31N4Na3O7
Molecular Weight:
676.6019
MDL Number:
MFCD12827685
IUPAC Name:
trisodium;3-[(2S,3S)-18-carboxy-20-(carboxylatomethyl)-8-ethenyl-13-ethyl-3,7,17-trimethyl-12-(oxidomethylidene)-3,21-dihydro-2H-porphyrin-2-yl]propanoate
InChI:
InChI=1S/C34H34N4O7.3Na/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23;;;/h6,11-14,16,20,37,39H,1,7-10H2,2-5H3,(H,40,41)(H,42,43)(H,44,45);;;/q;3*+1/p-3/t16-,20-;;;/m0.../s1
InChI Key:
MYZGFRNUDDCPBZ-RUSRHYLNSA-K
SMILES:
O=CC1=C(CC)/C/2=C/c3[nH]c(c(c3C)C(=O)[O-])/C(=C/3\N=C(/C=c/4\[nH]/c(=C\C1=N2)/c(C=C)c4C)[C@@H](C)[C@@H]3CCC(=O)[O-])/CC(=O)[O-].[Na+].[Na+].[Na+]
EC Number:
283-206-5
