chempirical

Oxytetracycline hydrochloride

C22H25ClN2O9CAS 2058-46-0496.90 g/mol

Open in Covalent MOL file
NHOH2NOOHOHOOHOOHOHHCl
AlcoholAlkeneKetonePhenolTertiary amine

Properties

Molecular formula
C22H25ClN2O9
Molar mass
496.90 g/mol
Exact mass
496.1249 Da
Melting point
178 °C (decomposes)
logP
0.23Crippen estimate
Polar surface area
202.8 Ų
H-bond donors / acceptors
8 / 10
Rotatable bonds
2
Stereocentres
S, S, S, R, S, Rin SMILES atom order

Identifiers

CAS number
2058-46-0
SMILES
CN(C)[C@@H]1C(O)=C(C(=N)O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.Cl
InChIKey
UBDNTYUBJLXUNN-IFLJXUKPSA-N
InChI
InChI=1S/C22H24N2O9.ClH/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);1H/t12-,13-,14+,17+,21-,22+;/m1./s1

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

Names and synonyms

39 names · show all
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4S,4aR,5S,5aR,6S,12aS)-
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, monohydrochloride
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4S-(4α,4aα,5α,5aα,6β,12aα)]-
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,6S,12aS)-
  • 1-Dimethylamino-1,4,6,11,12,13,14,18-octahydro-2,5,7,11,12,14-hexahydroxy-4,6-dioxo-11-methylnaphthacene-3-carbonamide hydrochloride
  • Liquamycin injectable
  • Terramycin hydrochloride
  • Tetran hydrochloride
  • 5-Hydroxytetracycline hydrochloride
  • TM 5
  • 5-Hydroxytetracycline monohydrochloride
  • Aquacycline
  • Engemycin
  • Oxytetrin
  • Mepatar
  • Oxytet
  • Oxylag
  • Gynamousse
  • Oxybiocycline
  • Oxycyclin
  • Occrycetin
  • Terraject
  • Oxyject
  • Oxy-dumocyclin
  • Oxypan
  • Toxinal
  • Duphacycline
  • Oxytetracid
  • Oxy WS
  • Tetramel
  • Oxlopar
  • Alamycin
  • Oxybiotic
  • Tetra-tabilinen
  • Biocyl
  • Maxicyklin
  • Vetilmicin
  • Teramycin
  • Terramycin 343

Work with Oxytetracycline 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

Similar compounds

Oxytetracycline79-57-296 % similar Oxytetracycline calcium7179-50-293 % similar Oxytetracycline dihydrate6153-64-692 % similar (-)-Tetracycline hydrochloride64-75-572 % similar Doxycycline hydrochloride100929-47-370 % similar Doxycycline hydrochloride10592-13-970 % similar Methacycline hydrochloride3963-95-969 % similar (-)-Tetracycline60-54-868 % similar

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

Elsewhere

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