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Bendamustine-[d6] Hydrochloride

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General Information
Catalog: BLP-007836
Molecular Formula: C16H15D6Cl2N3O2.HCl
Molecular Weight: 400.76

Chemical Structure

Description	Bendamustine-[d6] Hydrochloride is the labelled salt of Bendamustine, which is a bifunctional mechlorethamine derivative with alkylator and antimetabolite activities.
Synonyms	5-[Bis(2-chloroethyl)-amino]-1-methyl-1H-benzimidazole-2-butanoic Acid-d6 Hydrochloride; Cytostasan-d6; Ribomustin-d6; Treanda-d6; Bendamustine-d6 Hydrochloride
IUPAC Name	4-[5-[bis(2-chloroethyl)amino]-4-deuterio-1-(trideuteriomethyl)benzimidazol-2-yl]-2,2-dideuteriobutanoic acid;hydrochloride
Related CAS	3543-75-7 (unlabelled) 16506-27-7 (unlabelled free base)
Canonical SMILES	CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O.Cl
InChI	InChI=1S/C16H21Cl2N3O2.ClH/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23;/h5-6,11H,2-4,7-10H2,1H3,(H,22,23);1H/i1D3,4D2,11D;
InChI Key	ZHSKUOZOLHMKEA-DSJZTGLDSA-N
Melting Point	154-156°C
Purity	98%; 98% atom D
Solubility	Slightly soluble in Methanol, Water
Appearance	Off-white Solid
Storage	Store at -20°C