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Molecule

Oxytetracycline

CAS: 79-57-2 · C22H24N2O9

2D Structure

3D Structure

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Basic Information

CAS Registry Number
79-57-2
Molecular Formula
C22H24N2O9
Molecular Mass
460.44 g/mol

Identifiers

CAS Registry 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

InChI Key

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

Names and Synonyms

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

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 460.44 g/mol CAS Common Chemistry
460.43900000000014 g/mol RDKit
460.439 g/mol RDKit
Density 1.63 g/cm³ CAS Common Chemistry
1.634 g/cm3 @ 20 °C CAS Common Chemistry
Canonical SMILES O=C(N)C=1C(=O)C2(O)C(O)=C3C(=O)C=4C(O)=CC=CC4C(O)(C)C3C(O)C2C(C1O)N(C)C CAS Common Chemistry
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 CAS Common Chemistry
InChI Key InChIKey=IWVCMVBTMGNXQD-PXOLEDIWSA-N CAS Common Chemistry
Melting Point 184-185 °C CAS Common Chemistry
Name Oxytetracycline CAS Common Chemistry
Heavy Atom Count 33 RDKit
Hydrogen Bond Acceptors 10 RDKit
Hydrogen Bond Donors 8 RDKit
Rotatable Bonds 2 RDKit
Aromatic Ring Count 1 RDKit
Topological Polar Surface Area 202.83999999999997 Ų RDKit
202.84 Ų RDKit
190.76 Ų chempirical lib
LogP -0.1936300000000003 RDKit
-0.1936 RDKit
Molar Refractivity 112.09180000000002 cm³/mol RDKit
Ring Count 4 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.4091 RDKit
0.41 chempirical lib
Exact Mass 460.1481803479999 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 460.44 g/mol; density = 1.630 g/mL. Edit any field — others recompute live.

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