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Clindamycin-[d3] hydrochloride

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General Information
Catalog: BLP-011849
CAS: 1356933-72-6
Molecular Formula: C18H31D3Cl2N2O5S
Molecular Weight: 464.46

Chemical Structure

Description	Clindamycin-[d3] hydrochloride is the labelled salt of Clindamycin, which is a semi-synthetic antibiotic prepared from Lincomycin.
Synonyms	Clindamycin D3 hydrochloride; (2S-trans)-Methyl 7-Chloro-6,7,8-trideoxy-6-[[[(2S,4R)-1-(methyl-d3)-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-L-threo-α-D-galactooctopyranoside Hydrochloride; 7(S)-Chloro-7-deoxylincomycin-d3; 7-CDL-d3; 7-Chlorolincomycin-d3; Antirobe-d3; Chlolincocin-d3; Cleocin-d3; Clinimycin-d3; Dalacine-d3
IUPAC Name	(2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-propyl-1-(trideuteriomethyl)pyrrolidine-2-carboxamide;hydrochloride
Related CAS	21462-39-5 (unlabelled) 18323-44-9 (unlabelled free base)
Canonical SMILES	CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl.Cl
InChI	InChI=1S/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10+,11-,12+,13-,14+,15+,16+,18+;/m0./s1/i3D3;
InChI Key	AUODDLQVRAJAJM-LXHDSOSYSA-N
Melting Point	>142°C (dec.)
Purity	97%; 99.6% atom D
Solubility	Soluble in Methanol (Slightly), Water (Slightly)
Appearance	White to Off-white Solid
Storage	Store at -20°C under inert atmosphere