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Chemical structure of Omadacycline hydrochloride

GC32064

Omadacycline hydrochloride

Also listed as Omadacycline hydrochloride (PTK0796 hydrochloride)

Omadacycline (PTK 0796) hydrochloride, a first-in-class orally active aminomethylcycline antibacterial, is a member of the tetracycline class of antibiotics

ChemicalCAS1196800-39-1MW593.11FormulaC29H40N4O7·HCl
CAS number
1196800-39-1
Molecular weight
593.11
Formula
C29H40N4O7·HCl
Solubility
Water ： ≥ 50 mg/mL (84·30 mM)
InChIKey
XFPTUHUKKFUSNF-XGLFQKEBSA-N
Catalogue number
GC32064
Brand
GLPBIO
Computed properties PubChem CID 54746487 · TPSA 177 Ų · H-bond donors 7 · H-bond acceptors 10
TPSA
177 Ų
H-bond donors
7
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
41

SMILES 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.Cl

Computed descriptors from PubChem (CID 54746487), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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