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Astemizole-[d3]

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General Information
Catalog: BLP-010683
CAS: 1189961-39-4
Molecular Formula: C28H28D3FN4O
Molecular Weight: 461.59

Chemical Structure

Description	Astemizole-[d3] is the labelled analogue of Astemizole, which is a nonsedating-type histamine H1-receptor antagonist. Potential for combination therapy with anticancer drugs such as doxorubicin in resistant leukemia. Antihistaminic.
Synonyms	Astemizole D3; 1-[(4-Fluorophenyl)methyl]-N-[1-[2-(4-methoxy-d3-phenyl)ethyl]-4-piperidinyl]-1H-benzimidazol-2-amine; Astemisan-d3; Hismanal-d3; Histamen-d3; Paralergin-d3; Retolen-d3; Waruzol-d3
IUPAC Name	1-[(4-fluorophenyl)methyl]-N-[1-[2-[4-(trideuteriomethoxy)phenyl]ethyl]piperidin-4-yl]benzimidazol-2-amine
Related CAS	68844-77-9 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])OC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F
Canonical SMILES	COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F
InChI	InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)/i1D3
InChI Key	GXDALQBWZGODGZ-FIBGUPNXSA-N
Melting Point	145-150°C
Purity	≥95%; ≥99% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	White to Off-white Solid
Storage	Store at 2-8°C