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Chemical structure of Omadacycline tosylate

GC36805

Omadacycline tosylate

Also known as (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;4-methylbenzenesulfonic acid

Omadacycline tosylate is a newly developed aminomethylcycline antibiotic with applications in acute bacterial skin and skin structure infections (ABSSSI) as well as community-acquired bacterial pneumonia (CABP)

ChemicalCAS1075240-43-5MW728.85FormulaC36H48N4O10S
CAS number
1075240-43-5
Molecular weight
728.85
Formula
C36H48N4O10S
Solubility
DMSO ： 100mg/mL; Water ： 100mg/mL
InChIKey
CSLDSXNLUZXVTF-XGLFQKEBSA-N
Catalogue number
GC36805
Brand
GLPBIO
Computed properties PubChem CID 54746485 · TPSA 239 Ų · H-bond donors 7 · H-bond acceptors 13
TPSA
239 Ų
H-bond donors
7
H-bond acceptors
13
Rotatable bonds
8
Heavy atoms
51

SMILES CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)CNCC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C

Computed descriptors from PubChem (CID 54746485), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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