Name: Isochlortetracycline
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212038953
Cas No:514-53-4
常用名:Isochlortetracycline
IUPAC:(4S,4aS,6S,8aS)-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxamide
IUPAC:(4S,4aS,6S,8aS)-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxamide
InChI key:GFSLIMZISCAANG-AXVXPIMKSA-N

分子式:C22H23ClN2O8
分子量:478.88
氢键供体数 (HBD):4
氢键受体数 (HBA):8
LogP:-1.4213904
SMILES:[H][C@]1(CC(=O)[C@]2(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]2([H])C1)[C@]1(C)OC(=O)c2c1c(Cl)ccc2O |t:12|
SMILES:[H][C@]1(CC(=O)[C@]2(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]2([H])C1)[C@]1(C)OC(=O)c2c1c(Cl)ccc2O |t:12|

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