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Cimetidine-[d3]

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General Information
Catalog: BLP-011845
CAS: 1185237-29-9
Molecular Formula: C10H13D3N6S
Molecular Weight: 255.35

Chemical Structure

Description	Cimetidine-[d3] is the labelled analogue of Cimetidine. Cimetidine is a competitive histamine H2-receptor antagonist which inhibits gastric acid secretion and reduces pepsin output.
Synonyms	Cimetidine D3; N-Cyano-N'-methyl-d3-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]guanidine; Acibilin-d3; Acinil-d3; Cimal-d3; Cimetag-d3; Cimetum-d3; Edalened3; Peptol-d3; Tagamet-d3; Ulcedin-d3
IUPAC Name	1-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-(trideuteriomethyl)guanidine
Related CAS	51481-61-9 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])N=C(NCCSCC1=C(NC=N1)C)NC#N
Canonical SMILES	CC1=C(N=CN1)CSCCNC(=NC)NC#N
InChI	InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)/i2D3
InChI Key	AQIXAKUUQRKLND-BMSJAHLVSA-N
Melting Point	135-137°C
Purity	≥98% by HPLC; ≥99% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly), Water (Slightly)
Appearance	White Solid
Storage	Store at -20°C