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

Product Code. 17984325
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Product Code. 17984325 Supplier Toronto Research Chemicals Supplier No. TRCC4265011MG

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Chemical Identifiers

CAS 101342-45-4
Molecular Formula C22 H23 Cl N2 O8 . Cl H
Molecular Weight (g/mol) 515.34
Synonym 4-epi-Chlortetracycline Hydrochloride, Chlortetracycline Imp. A (EP), 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)-, 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), 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-(4α,4aβ,5aβ,6α,12aβ)]-, 4-Epichlortetracycline 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
SMILES Cl.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

Specifications

Quantity 1 mg
InChI Formula InChI=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;/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15+,21-,22-;/m0./s1
Formula Weight 514.091
Chemical Name or Material 4-epi-Chlortetracycline Hydrochloride
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