Doxycycline Hydrochloride
(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
Molecular Identity
Doxycycline Hydrochloride
(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
PubChem CID: 54685920
2D Structure
Properties
C22H25ClN2O8
Molecular Formula
480.90
Molecular Weight
g/mol
480.1299
Exact Mass
Da
182
TPSA
May have limited oral absorption
7
H-Bond Donors
9
H-Bond Acceptors
956
Complexity
SMILES
Canonical SMILES
SMILES: CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.ClIsomeric SMILES
SMILES: C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.ClSynonyms(20)
Doxycycline hydrochloride10592-13-9Doxycycline HClIdocyklinLiomycinNivocilinRoximycinSamecinTanamicinTecacinEcodoxDoxy-tablinen(4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochlorideVibramycin hydrochlorideDTXSID1045405
Data from PubChem (NCBI)
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Drug Network
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