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Pinaverium Bromide-[d4]

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General Information
Catalog: BLP-003822
Molecular Formula: C26H37D4Br2NO4
Molecular Weight: 595.44

Chemical Structure

Description	An isotope labelled derivative of Pinaverium. Pinaverium is a drug used for functional gastrointestinal disorders as a calcium channel blocker.
Synonyms	4-[(2-Bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethylbicyclo[3.1.1]-hept-2-yl)ethoxy]ethyl]morpholinium-d4 Bromide; Pinaverium D4 Bromide
IUPAC Name	4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[1,1,2,2-tetradeuterio-2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium;bromide
Related CAS	53251-94-8 (unlabelled)
Canonical SMILES	CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C.[Br-]
InChI	InChI=1S/C26H41BrNO4.BrH/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27;/h15,17,19,21-22H,5-14,16,18H2,1-4H3;1H/q+1;/p-1/i8D2,12D2;
InChI Key	IKGXLCMLVINENI-WVYYIIHHSA-M
Melting Point	159-164°C
Purity	95% by HPLC; 98% atom D
Appearance	White Crystalline Powder
Storage	Store at -20°C