Name: Omadacycline mesylate
Rating: 5 (10 reviews)

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HIT ID:HIT212711797
Cas No:1196800-40-4
常用名:Omadacycline mesylate
别名:PTK-0796, PTK0796, PTK 0796
IUPAC:(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-9-{[(2,2-dimethylpropyl)amino]methyl}-1,10,11,12a-tetrahydroxy-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide; methanesulfonic acid
IUPAC:(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-9-{[(2,2-dimethylpropyl)amino]methyl}-1,10,11,12a-tetrahydroxy-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide; methanesulfonic acid
InChI key:BRTZQVQPPVIFKG-XGLFQKEBSA-N

分子式:C30H44N4O10S
分子量:652.76
氢键供体数 (HBD):6
氢键受体数 (HBA):10
LogP:-2.314619
SMILES:CS(O)(=O)=O.[H][C@@]12Cc3c(cc(CNCC(C)(C)C)c(O)c3C(O)=C1C(=O)[C@]1(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C |c:23,t:31|
SMILES:CS(O)(=O)=O.[H][C@@]12Cc3c(cc(CNCC(C)(C)C)c(O)c3C(O)=C1C(=O)[C@]1(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C |c:23,t:31|

Omadacycline is an aminomethylcycline antibiotic. Omadacycline demonstrated net cidal activity in relation to the initial burden against four strains of Streptococcus pneumoniae.

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