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Ebastine-[d5] Fumarate

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Ebastine-[d5] Fumarate

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General Information
Catalog: BLP-005271
CAS: 1316815-02-7
Molecular Formula: C36H38D5NO6
Molecular Weight: 590.77

Chemical Structure

Description	Ebastine-[d5] Fumarate is a deuterium labelled form of Ebastine, which is a potent second generation histamine H1 receptor antagonist.
Synonyms	Ebastine-D5 Fumarate
IUPAC Name	(E)-but-2-enedioic acid;1-(4-tert-butylphenyl)-4-[4-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethoxy]piperidin-1-yl]butan-1-one
Related CAS	97928-20-6 (unlabelled)
Canonical SMILES	CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O
InChI	InChI=1S/C32H39NO2.C4H4O4/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27;5-3(6)1-2-4(7)8/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/i4D,6D,7D,11D,12D;
InChI Key	JJUCFZIMLBNQQR-GFILECFBSA-N
Solubility	Soluble in Methanol
Storage	Store at -20°C