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Deferasirox-[d4]

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General Information
Catalog: BLP-012302
CAS: 1133425-75-8
Molecular Formula: C21H11D4N3O4
Molecular Weight: 377.38

Chemical Structure

Description	Deferasirox-[d4] is a labelled orally active tridentate iron chelator.
Synonyms	Deferasirox D4
IUPAC Name	4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]-2,3,5,6-tetradeuteriobenzoic acid
Related CAS	201530-41-8 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1C(=O)O)[2H])[2H])N2C(=NC(=N2)C3=CC=CC=C3O)C4=CC=CC=C4O)[2H]
Canonical SMILES	C1=CC=C(C(=C1)C2=NN(C(=N2)C3=CC=CC=C3O)C4=CC=C(C=C4)C(=O)O)O
InChI	InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)/i9D,10D,11D,12D
InChI Key	BOFQWVMAQOTZIW-IRYCTXJYSA-N
Boiling Point	672.1±65.0 °C at 760 mmHg
Melting Point	>196°C
Purity	95% by HPLC; 95% atom D
Density	1.4±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	Light yellow to yellow solid
Storage	Store at -20°C