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Chemical structure of Demecycline

GC60753

Demecycline

Also known as (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Demecycline, a tetracycline antibiotic, is the C6-demethylated derivative of Tetracycline against bacterial infections including pneumonia and other respiratory tract infections

ChemicalCAS987-02-0MW430.41FormulaC21H22N2O8
CAS number
987-02-0
Molecular weight
430.41
Formula
C21H22N2O8
Solubility
DMSO ： ≥ 100 mg/mL (232·34 mM)
InChIKey
RMVMLZHPWMTQGK-SOUFLCLCSA-N
Catalogue number
GC60753
Brand
GLPBIO
Computed properties PubChem CID 54682469 · XLogP 0.1 · TPSA 182 Ų · H-bond donors 6
XLogP
0.1
TPSA
182 Ų
H-bond donors
6
H-bond acceptors
9
Rotatable bonds
2
Heavy atoms
31

SMILES CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](C4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O

Computed descriptors from PubChem (CID 54682469), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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