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

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
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

Weigh it out

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

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.

Oxytetracycline dihydrate6153-64-6Hydrate Oxytetracycline79-57-2Free base

Similar compounds

(-)-Tetracycline hydrochloride64-75-572 % similar Doxycycline hydrochloride100929-47-370 % similar Doxycycline hydrochloride10592-13-970 % similar Methacycline hydrochloride3963-95-969 % similar (-)-Tetracycline60-54-868 % similar Doxycycline564-25-066 % similar Doxycycline monohydrate17086-28-164 % similar Doxycycline hyclate24390-14-562 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook