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Chlorguanide-[d4] Hydrochloride

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General Information
Catalog: BLP-011837
CAS: 1189671-34-8
Molecular Formula: C11H13D4Cl2N5
Molecular Weight: 294.22

Chemical Structure

Description	Chlorguanide-[d4] Hydrochloride is the labelled salt of Chlorguanide, which is a medication used to treat and prevent malaria.
Synonyms	Chlorguanide-d4 Hydrochloride; N-(4-Chlorophenyl-d4)-N'-(1-methylethyl)-imidodicarbonimidic Diamide Hydrochloride; 1-(p-Chlorophenyl-d4)-5-isopropylbiguanide Hydrochloride; Bigumal-d4; Chlorguanid-d4; Paludrin-d4; Proguanil-d4
IUPAC Name	(1E)-1-[amino-(4-chloro-2,3,5,6-tetradeuterioanilino)methylidene]-2-propan-2-ylguanidine;hydrochloride
Related CAS	637-32-1 (unlabelled) 1189805-15-9 (free base) 500-92-5 (unlabelled free base)
Canonical SMILES	CC(C)N=C(N)N=C(N)NC1=CC=C(C=C1)Cl.Cl
InChI	InChI=1S/C11H16ClN5.ClH/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9;/h3-7H,1-2H3,(H5,13,14,15,16,17);1H/i3D,4D,5D,6D
InChI Key	SARMGXPVOFNNNG-HGSONKNXSA-N
Melting Point	246-248°C
Purity	98%; 98.8% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White Solid
Storage	Store at -20°C