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Molecule
(-)-Tetracycline
CAS: 60-54-8 · C22H24N2O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 60-54-8
- Molecular Formula
- C22H24N2O8
- Molecular Mass
- 444.44 g/mol
Identifiers
CAS Registry Number
60-54-8
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]3C[C@@H]12
InChI Key
OFVLGDICTFRJMM-WESIUVDSSA-N
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)/t9-,10-,15-,21+,22-/m0/s1
Names and Synonyms
- (-)-Tetracycline Synonym
- Tetramykoin Synonym
- Apo-Tetra Synonym
- Novo-Tetra Synonym
- 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)- Synonym
- 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-(4α,4aα,5aα,6β,12aα)]- Synonym
- 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo- Synonym
- (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 Synonym
- Abramycin Synonym
- Achromycin Synonym
- Agromicina Synonym
- Ambramicina Synonym
- Ambramycin Synonym
- Cyclomycin Synonym
- Deschlorobiomycin Synonym
- Neocycline Synonym
- Omegamycin Synonym
- Panmycin Synonym
- Polycycline Synonym
- Tetracycline Synonym
- Tetradecin Synonym
- Orlycycline Synonym
- Polycycline (antibiotic) Synonym
- Biocycline Synonym
- Mericycline Synonym
- Tetra-Co Synonym
- Ciclibion Synonym
- Veracin Synonym
- Vetacyclinum Synonym
- Roviciclina Synonym
- Tetrafil Synonym
- Achromycin (naphthacene derivative) Synonym
- Cytome Synonym
- Resteclin Synonym
- Enterocycline Synonym
- Limecycline Synonym
- Micycline Synonym
- Sumycin syrup Synonym
- Medocycline Synonym
- (-)-Tetracycline Synonym
- Bio-Tetra Synonym
- NSC 108579 Synonym
- Actisite Synonym
- Latycin Synonym
- Steclin V Synonym
- Nu-Tetra Synonym
- Florocycline Synonym
- Tetramig Synonym
- Akne-Pyodron Kur Synonym
- Akne-Pyodron Synonym
- Dispatetrin Synonym
- Quimocyclin N Synonym
- Sagittacin N Synonym
- Tetracitro S Synonym
- Acromicina Synonym
- Calociclina Synonym
- Ibicyn Synonym
- Spaciclina Synonym
- Tetra-Proter Synonym
- Tetrabioptal Synonym
- Tetrafosammina Synonym
- Arcanacycline Synonym
- Gammatet Synonym
- Retet Synonym
- Britaciclina Synonym
- Kinciclina Synonym
- Quimpe Antibiotico Synonym
- Tetra Hubber Synonym
- Tetralen Synonym
- Servitet Synonym
- Tetraseptine Synonym
- Triphacycline Synonym
- Economycin Synonym
- NorTet Synonym
- Robitet Robicaps Synonym
- Tetracap Synonym
- Tetralan Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 444.44 g/mol | CAS Common Chemistry |
| 444.44000000000017 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C=1C(=O)C2(O)C(O)=C3C(=O)C=4C(O)=CC=CC4C(O)(C)C3CC2C(C1O)N(C)C | CAS Common Chemistry |
| 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)/t9-,10-,15-,21+,22-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OFVLGDICTFRJMM-WESIUVDSSA-N | CAS Common Chemistry |
| Melting Point | 5-170 °C | CAS Common Chemistry |
| Name | (-)-Tetracycline | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 7 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 182.60999999999999 Ų | RDKit |
| 182.61 Ų | RDKit | |
| 170.53 Ų | chempirical lib | |
| LogP | 0.8355699999999999 | RDKit |
| 0.8356 | RDKit | |
| Molar Refractivity | 110.70200000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4091 | RDKit |
| 0.41 | chempirical lib | |
| Exact Mass | 444.15326572799995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 444.44 g/mol. Edit any field — others recompute live.
