chempirical

Doxycycline hydrochloride

C22H25ClN2O8CAS 10592-13-9480.90 g/mol

Open in Covalent MOL file
OHOOHOHOH2NOHONOHHCl
AlcoholAlkeneKetonePhenolTertiary amine

Properties

Molecular formula
C22H25ClN2O8
Molar mass
480.90 g/mol
Exact mass
480.1299 Da
logP
1.12Crippen estimate
Polar surface area
182.6 Ų
H-bond donors / acceptors
7 / 9
Rotatable bonds
2
Stereocentres
R, S, S, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
10592-13-9
SMILES
C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=N)O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl
InChIKey
RUYHIJHUVHIMIR-CVHRZJFOSA-N
InChI
InChI=1S/C22H24N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);1H/t7-,10+,14+,15-,17-,22-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4S,4aR,5S,5aR,6R,12aS)-
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4S-(4α,4aα,5α,5aα,6α,12aα)]-
  • 2-Naphthacenecarboxamide, 4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,6R,12aS)-
  • Deoxy-5-hydroxytetracycline hydrochloride
  • Deoxyoxytetracycline hydrochloride
  • 6-Deoxyoxytetracycline hydrochloride
  • α-6-Deoxy-5-hydroxytetracycline hydrochloride
  • Doxylin
  • Vibramycin hyclate
  • Vibramycin hydrochloride
  • Idocyklin
  • 6-Desoxy-5-hydroxytetracycline hydrochloride
  • Farcodoxin

Work with Doxycycline hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Doxycycline monohydrate17086-28-1Hydrate Doxycycline564-25-0Free base Doxycycline hydrochloride100929-47-3

Similar compounds

Doxycycline hyclate24390-14-588 % similar Oxytetracycline hydrochloride2058-46-070 % similar Methacycline hydrochloride3963-95-970 % similar Oxytetracycline79-57-266 % similar Oxytetracycline dihydrate6153-64-664 % similar Sancycline808-26-456 % similar Demeclocycline hydrochloride64-73-354 % similar (-)-Tetracycline60-54-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(-)-Tetracycline hydrochloride64-75-5

Elsewhere

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