Isochlortetracycline

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For Research Use Only | Not For Clinical Use
CATAPS514534
CAS514-53-4
Structure
Synonyms(4S,4aS,6S,8aS)-6-[(1S)-7-Chloro-4-hydroxy-1-methyl-3-oxo-isobenzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-4a,5,6,7-tetrahydro-4H-naphthalene-2-carboxamide, Isoaureomycin, Iso-chlorotetracycline, Isochlortetracycline, 2-Naphthalenecarboxamide, 6-(7-chloro-1,3-dihydro-4-hydroxy-1-methyl-3-oxo-1-isobenzofuranyl)-4-(dimethylamino)-1,4,4a,5,6,7,8,8a-octahydro-3,8a-dihydroxy-1,8-dioxo-, [4S-[4α,4aα,6β(R*),8aα]]-, 7-Chloroisotetracycline, (4S,4aS,6S,8aS)-6-[(1S)-7-Chloro-1,3-dihydro-4-hydroxy-1-methyl-3-oxo-1-isobenzofuranyl]-4-(dimethylamino)-1,4,4a,5,6,7,8,8a-octahydro-3,8a-dihydroxy-1,8-dioxo-2-naphthalenecarboxamide, Phthalide, 3-[6-carbamoyl-8-(dimethylamino)-1,2,3,4,4a,5,8,8a-octahydro-4a,7-dihydroxy-4,5-dioxo-2-naphthyl]-4-chloro-7-hydroxy-3-methyl- (6CI,7CI,8CI),2-Naphthalenecarboxamide, 6-[(1S)-7-chloro-1,3-dihydro-4-hydroxy-1-methyl-3-oxo-1-isobenzofuranyl]-4-(dimethylamino)-1,4,4a,5,6,7,8,8a-octahydro-3,8a-dihydroxy-1,8-dioxo-, (4S,4aS,6S,8aS)-
IUPAC Name(4S,4aS,6S,8aS)-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-2-benzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-4a,5,6,7-tetrahydro-4H-naphthalene-2-carboxamide
Molecular Weight478.88
Molecular FormulaC22H23ClN2O8
Canonical SMILESCN(C)[C@H]1[C@@H]2C[C@@H](CC(=O)[C@]2(O)C(=O)C(=C1O)C(=O)N)[C@]3(C)OC(=O)c4c(O)ccc(Cl)c34
InChIInChI=1S/C22H23ClN2O8/c1-21(15-10(23)4-5-11(26)13(15)20(31)33-21)8-6-9-16(25(2)3)17(28)14(19(24)30)18(29)22(9,32)12(27)7-8/h4-5,8-9,16,26,28,32H,6-7H2,1-3H3,(H2,24,30)/t8-,9-,16-,21-,22-/m0/s1
Accurate Mass478.1143
FormatNeat
Product TypeMetabolite
  • Verification code
CATSizeShippingStorage ConditionsDescription
APS514534-100MG 100MG Room Temperature -20°C Subcategory: Pharmaceutical, Antibiotics Inquiry
APS514534-10MG 10MG Dry ice -20°C Freezer Subcategory: Antibiotics, Pharmaceutical Inquiry
APS514534-5MG 5MG Dry ice -20°C Freezer Subcategory: Antibiotics Inquiry
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