Doxycycline-d3 HCl
HIT218833722
sdf文件结构编辑类似物检索
HIT ID: HIT218833722
Cas No:
分子式: C22H25ClN2O8
分子量: 483.92
常用名: Doxycycline-d3 HCl
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S,4aR,5S,5aR,6R,12aS)-3,5,10,12,12a-pentahydroxy-6-methyl-4-[(2H3)methyl(methyl)amino]-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride
IUPAC: (4S,4aR,5S,5aR,6R,12aS)-3,5,10,12,12a-pentahydroxy-6-methyl-4-[(2H3)methyl(methyl)amino]-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride
SMILES: Cl.[H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C([2H])([2H])[2H])[C@]1([H])[C@H]2O
SMILES: Cl.[H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C([2H])([2H])[2H])[C@]1([H])[C@H]2O
InChI key: RUYHIJHUVHIMIR-YYZCSUKYSA-N
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