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Home > Product > Heterocyclic Organic Compounds > Deferasirox ferrate(iii)tripotassium complex methanoate hydrate

Deferasirox ferrate(iii)tripotassium complex methanoate hydrate | CAS Number: 554445-58-8

Catalog Number
ACM554445588
Product Name
Deferasirox ferrate(iii)tripotassium complex methanoate hydrate
Structure
CAS Number
554445-58-8
IUPAC Name
tripotassium;4-[(3E,5E)-3,5-bis(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-1-yl]benzoate;iron;methanol;dihydrate
Synonyms
(OC-6-22')-Bis[4-[3,5-bis[2-(hydroxy-kO)phenyl]-1H-1,2,4-triazol-1-yl-kN4]benzoato(3-)]ferrate(3-) Tripotassium Methanoate Hydrate;
Molecular Weight
1013.93
Exact Mass
1017.10000
Molecular Formula
C44H36FeK3N6O12
Purity
96%
SMILES
CO.CO.C1=CC(=C2NC(=C3C=CC=CC3=O)N(N2)C4=CC=C(C=C4)C(=O)[O-])C(=O)C=C1.C1=CC(=C2NC(=C3C=CC=CC3=O)N(N2)C4=CC=C(C=C4)C(=O)[O-])C(=O)C=C1.O.O.[K+].[K+].[K+].[Fe]
InChIKey
BZELUNNKEIJFGM-WLENEYSGSA-L
H-Bond Donor
8
H-Bond Acceptor
18
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