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Butamirate-[d5] Citrate

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General Information
Catalog: BLP-002115
CAS: 1215650-08-0
Molecular Formula: C24H32D5NO10
Molecular Weight: 504.58

Chemical Structure

Description	Butamirate-[d5] Citrate, is the labelled analogue of Butamirate. Butamirate is a cough suppressant.
Synonyms	Butamirate-d5 Citrate; 2-Hydroxypropane-1,2,3-tricarboxylic acid--2-[2-(diethylamino)ethoxy]ethyl 2-phenyl(3,3,4,4,4-D5)butanoate
IUPAC Name	2-[2-(diethylamino)ethoxy]ethyl 3,3,4,4,4-pentadeuterio-2-phenylbutanoate;2-hydroxypropane-1,2,3-tricarboxylic acid
Related CAS	18109-81-4 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C(C1=CC=CC=C1)C(=O)OCCOCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Canonical SMILES	CCC(C1=CC=CC=C1)C(=O)OCCOCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI	InChI=1S/C18H29NO3.C6H8O7/c1-4-17(16-10-8-7-9-11-16)18(20)22-15-14-21-13-12-19(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,17H,4-6,12-15H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1D3,4D2;
InChI Key	JVKMHUAWFDGPTF-UHBAQTEVSA-N
Melting Point	74-77°C
Purity	> 98%
Solubility	Soluble in Chloroform, Methanol, Water
Appearance	White Solid
Storage	Store at -20°C, under inert atmosphere