Omadacycline
(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Molecular Identity
Omadacycline
(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
PubChem CID: 54697325
Omadacycline is a member of tetracyclines.
2D Structure
Properties
C29H40N4O7
Molecular Formula
556.60
Molecular Weight
g/mol
556.2897
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
177
TPSA
May have limited oral absorption
6
H-Bond Donors
10
H-Bond Acceptors
1140
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
OmadacyclineAmadacycline389139-89-3nuzyraOmadacycline [USAN]PTK 0796;AmadacyclineBAY 73-6944090IP5RV8F(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamideOmadacycline (USAN)(4S,4aS,5aR,12aS)-4,7-bis(Dimethylamino)-9-(((2,2-dimethylpropyl)amino)methyl)- 3,10,12,12a- tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2- carboxamide(4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-3,10,12,12a-tetrahydroxy-9-((neopentylamino)methyl)-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamideOmadacycline [USAN:INN]omadaciclinaUNII-090IP5RV8F
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Omadacycline
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