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4-epi-Tetracycline-[d6]

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General Information
Catalog: BLP-007889
Molecular Formula: C22H18D6N2O8
Molecular Weight: 450.47

Chemical Structure

Description	4-epi-Tetracycline-[d6] is the labelled analogue of 4-epi-Tetracycline, which is a metabolite of Tetracycline.
Synonyms	4-epi-Tetracycline-d6; Quatrimycin-d6; [4R-(4α,4aβ,5aβ,6α,12aβ)]-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide-d6
IUPAC Name	(4R,4aS,5aS,6S,12aR)-4-[bis(trideuteriomethyl)amino]-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
Related CAS	79-85-6 (unlabelled)
Canonical SMILES	CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O
InChI	InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15+,21+,22-/m0/s1/i2D3,3D3
InChI Key	NWXMGUDVXFXRIG-QRXWDJAISA-N
Melting Point	>207°C (dec.)
Solubility	Slightly soluble in Water, Methanol (Heated)
Appearance	Dark Yellow Solid
Storage	Store at -20°C under inert atmosphere