4-Epianhydrotetracycline hydrochloride
HIT212038887
sdf文件结构编辑类似物检索
HIT ID: HIT212038887
Cas No: 4465-65-0
分子式: C22H23ClN2O7
分子量: 462.88
常用名: 4-Epianhydrotetracycline hydrochloride
常用名: 4-Epianhydrotetracycline hydrochloride
氢键受体数 (HBA): 8
氢键供体数 (HBD): 5
LogP: -1.3096818
IUPAC: (4R,4aS,12aS)-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide hydrochloride
IUPAC: (4R,4aS,12aS)-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide hydrochloride
SMILES: Cl.[H][C@@]12Cc3c(C)c4cccc(O)c4c(O)c3C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H]2N(C)C |t:28|
SMILES: Cl.[H][C@@]12Cc3c(C)c4cccc(O)c4c(O)c3C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H]2N(C)C |t:28|
InChI key: XBSQEFHDCDFNJU-MOMXNFOMSA-N
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