chempirical

Oxytetracycline

C22H24N2O9CAS 79-57-2460.44 g/mol

Open in Covalent MOL file
NHOH2NOOHOHOOHOOHOH
AlcoholAlkeneKetonePhenolTertiary amine

Properties

Molecular formula
C22H24N2O9
Molar mass
460.44 g/mol
Exact mass
460.1482 Da
Density
1.634 g/mL (at 20 °C)
Melting point
184–185 °C
logP
-0.19Crippen 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
79-57-2
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
InChIKey
IWVCMVBTMGNXQD-PXOLEDIWSA-N
InChI
InChI=1S/C22H24N2O9/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)/t12-,13-,14+,17+,21-,22+/m1/s1

Weigh it out

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

Names and synonyms

70 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-, (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-
  • 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-, [4S-(4α,4aα,5α,5aα,6β,12aα)]-
  • (4S,4aR,5S,5aR,6S,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide
  • Biostat PA
  • 5-Hydroxytetracycline
  • OTC
  • Oxymykoin
  • Oxyterracyne
  • Riomitsin
  • Ryomycin
  • Terrafungine
  • Oxytetracycline amphoteric
  • Terramycin
  • Tetran
  • Oxyterracine
  • Oxitetracyclin
  • Oxyterracin
  • Vendarcin
  • Macocyn
  • Oxytetracyclin
  • Oxy-kesso-tetra
  • Adamycin
  • Proteroxyna
  • Berkmycen
  • NSC 9169
  • Solkaciclina
  • Oksisyklin
  • Stevacin
  • Fanterrin
  • Oxymycin
  • Geomycin (Streptomyces vimosus)
  • Lenocycline
  • Oxypam
  • Liquamycin
  • Dabicycline
  • OTC (antibiotic)
  • Teravit
  • Ursocycline
  • Liquamycin LA 200
  • Tarosin
  • Tarocyn
  • Ursocyclin
  • Geomycin
  • Antibiotic TM 25
  • Terramycin Q 50
  • Mycoshield TMQTHC 20
  • LA 200
  • Geotilin
  • TM 50
  • Oxyject LA
  • Stecsolin
  • Clinimycin
  • OXTC
  • Oxydon
  • Oxatets
  • Imperacin
  • Unimycin
  • Terralon LA
  • Stevasin
  • Abbocin
  • Oxytetral
  • Oxycline
  • Oxiter 200
  • Oxylim
  • Oxymed 50
  • Oxysentin 100
  • Erfamycin
  • 4-Dimethylamino-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
  • Tormicina

Work with Oxytetracycline

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

Oxytetracycline calcium7179-50-297 % similar Oxytetracycline hydrochloride2058-46-096 % similar Oxytetracycline dihydrate6153-64-696 % similar (-)-Tetracycline60-54-871 % similar Doxycycline564-25-069 % similar (-)-Tetracycline hydrochloride64-75-568 % similar Doxycycline hydrochloride100929-47-366 % similar Doxycycline hydrochloride10592-13-966 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook