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4-epi-Chlortetracycline Hydrochloride (>90% by HPLC)

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For Research Use Only | Not For Clinical Use
CATAPS101342454
CAS101342-45-4
Structure
Synonyms2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4R-(4α,4aβ,5aβ,6α,12aβ)]-, 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4R,4aS,5aS,6S,12aS)-, Chlortetracycline Imp. A (EP), 4-Epichlortetracycline hydrochloride, 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4R,4aS,5aS,6S,12aS)- (9CI),4-epi-Chlortetracycline Hydrochloride
IUPAC Name(4R,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride
Molecular Weight515.34
Molecular FormulaC22H23ClN2O8.ClH
Canonical SMILESCl.CN(C)[C@@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O
InChIInChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21
Accurate Mass514.091
FormatNeat
SubcategoryEnzyme inhibitors, Pharmaceutical and veterinary compounds and metabolites
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