API reference

Doxycycline monohydrate

CAS number
17086-28-1
Molecular formula
C22H26N2O9
Molecular weight
462.4 g/mol
Doxycycline monohydrate — 2D structure
2D structure (PubChem)

About this molecule

Doxycycline monohydrate is the monohydrate form of doxycycline. A semi-synthetic tetracycline antibiotic, it is used to inhibit bacterial protein synthesis and treat non-gonococcal urethritis and cervicitis, exacerbations of bronchitis in patients with chronic obstructive pulmonary disease (COPD), and adult periodontitis. It has a role as an antibacterial drug. It contains a doxycycline.

Source: ChEBI, via PubChem.

Identifiers

IUPAC name
(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;hydrate
InChIKey
FZKWRPSUNUOXKJ-CVHRZJFOSA-N
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.O
Other CAS numbers recorded
220680-46-6
PubChem CID
54684461

Also known as

Invertin · DOXYCYCLINE MONOHYDRATE · Doxycycline hydrate · Oracea · Adoxa · Monodox · Supracyclin · Doxirobe

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