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Rupatadine-[d4] Fumarate

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General Information
Catalog: BLP-004174
CAS: 1795153-63-7
Molecular Formula: C30H26D4ClN3O4
Molecular Weight: 536.05

Chemical Structure

Description	Rupatadine-[d4] Fumarate is a labelled metabolite of Rupatadine. Rupatadine is a dual antagonist of histamine H1 and platelet-activating factor receptors. Rupatadine is used as an antihistaminic.
Synonyms	8-Chloro-6,11-dihydro-11-[1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene-d4]-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (2E)-2-Butenedioate; Rupafin-d4 Fumarate
IUPAC Name	(E)-but-2-enedioic acid;13-chloro-2-[2,2,6,6-tetradeuterio-1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Related CAS	182349-12-8 (unlabelled)
Canonical SMILES	CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2.C(=CC(=O)O)C(=O)O
InChI	InChI=1S/C26H26ClN3.C4H4O4/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25;5-3(6)1-2-4(7)8/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/i11D2,12D2;
InChI Key	JYBLCDXVHQWMSU-IKABZUPCSA-N
Melting Point	>115°C(dec.)
Appearance	Off-white to Light Orange Solid
Storage	Hygroscopic,-20°C, Under inert atmosphere