Chemical Properties of Tetracycline (CAS 60-54-8)

InChI

InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)

InChI Key

OFVLGDICTFRJMM-UHFFFAOYSA-N

Formula

C22H24N2O8

SMILES

CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12

Molecular Weight¹

444.43

CAS

60-54-8

Other Names

• (-)-Tetracycline
• (4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide
• (4S,4aS,5aS,6S,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide
• 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo, (4S,4aS,5aS,6S,12aS)-
• 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-
• 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, [4S-(4«alpha»,4a«alpha»,5a«alpha»,6«beta»,12a«alpha»)]-
• 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, [4S-(4«alpha»,4a«alpha»,5a«alpha»,6«beta»,12a«alpha»)]-
• 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide, [4S-(4«alpha»,4a«alpha»,5a«alpha»,6«beta»,12a«alpha»)]-
• 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide, [4S-(4«alpha»,4a«alpha»,5a«alpha»,6«beta»,12a«alpha»)]-
• 4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide, [4S-(4«alpha»,4a«alpha»,5a«alpha»,6«beta»,12a«alpha»)]-
• 4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide, [4S-(4«alpha»,4a«alpha»,5a«alpha»,6«beta»,12a«alpha»)]-
• Abramycin
• Abricycline
• Achromycin
• Acromicina
• Agromicina
• Ambramicina
• Ambramycin
• Amycin
• Bio-tetra
• Biocycline
• Bristaciclin «alpha»
• Bristaciclin «alpha»
• Bristaciclina
• Cefracycline
• Cefracycline suspension
• Centet (base)
• Ciclibion
• Copharlan
• Criseociclina
• Cyclomycin
• Cytome
• Democracin
• Deschlorobiomycin
• Dispatetrin
• Enterocycline
• Hostacyclin
• Ibicyn
• Lemtrex (base)
• Lexacycline
• Limecycline
• Liquamycin
• Liquamycin, veterinary
• Medocycline
• Mericycline
• Micycline
• Neocycline
• Omegamycin
• Orlycycline
• Panmycin
• Piracaps (base)
• Polycycline
• Polycycline, antibiotic
• Purocyclina
• Resteclin
• Robitet
• Roviciclina
• SK-Tetracycline
• Sanclomycine
• Sigmamycin
• Steclin
• T-125
• Tetra-Co
• Tetra-Proter
• Tetrabon
• Tetracycline I
• Tetracycline II
• Tetracyn
• Tetradecin
• Tetrafil
• Tetraseptine
• Tetraverine
• Tsiklomitsin
• Veracin
• Vetacyclinum
• Vetquamycin-324 (free base)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1614.66; 2701.27]	J/mol×K	[1500.65; 1927.79]
Cp,gas	1614.66	J/mol×K	1500.65	Joback Calculated Property
Cp,gas	1742.02	J/mol×K	1571.84	Joback Calculated Property
Cp,gas	1888.30	J/mol×K	1643.03	Joback Calculated Property
Cp,gas	2055.42	J/mol×K	1714.22	Joback Calculated Property
Cp,gas	2245.34	J/mol×K	1785.41	Joback Calculated Property
Cp,gas	2459.98	J/mol×K	1856.60	Joback Calculated Property
Cp,gas	2701.27	J/mol×K	1927.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tetracycline.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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