Catalog Number:
AG0010J6
Chemical Name:
1H-Indole-6-carboxylic acid, 2-[4-[bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]phenyl]-, potassium salt (1:5)
CAS Number:
132319-56-3
Molecular Formula:
C32H30K5N3O12++++
Molecular Weight:
844.0850
MDL Number:
MFCD00077797
IUPAC Name:
pentapotassium;2-[4-[bis(carboxylatomethyl)amino]-3-[2-[2-[bis(carboxylatomethyl)amino]-5-methylphenoxy]ethoxy]phenyl]-1H-indole-6-carboxylate
InChI:
InChI=1S/C32H31N3O12.5K/c1-18-2-6-24(34(14-28(36)37)15-29(38)39)26(10-18)46-8-9-47-27-13-20(5-7-25(27)35(16-30(40)41)17-31(42)43)22-11-19-3-4-21(32(44)45)12-23(19)33-22;;;;;/h2-7,10-13,33H,8-9,14-17H2,1H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45);;;;;/q;5*+1/p-5
InChI Key:
VGZPRMSXVNDMAN-UHFFFAOYSA-I
SMILES:
OC(=O)CN(c1ccc(cc1OCCOc1cc(C)ccc1N(CC(=O)O)CC(=O)O)c1[nH]c2c(c1)ccc(c2)C(=O)[O-])CC(=O)O.[K+].[K+].[K+].[K+].[K+]
