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(-)-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 Weight:
444.44000000000017 g/mol
Names and Synonyms:
(-)-Tetracycline
Tetramykoin
Apo-Tetra
Novo-Tetra
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-, [4S-(4α,4aα,5aα,6β,12aα)]-
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)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide
Abramycin
Achromycin
Agromicina
Ambramicina
Ambramycin
Cyclomycin
Deschlorobiomycin
Neocycline
Omegamycin
Panmycin
Polycycline
Tetracycline
Tetradecin
Orlycycline
Polycycline (antibiotic)
Biocycline
Mericycline
Tetra-Co
Ciclibion
Veracin
Vetacyclinum
Roviciclina
Tetrafil
Achromycin (naphthacene derivative)
Cytome
Resteclin
Enterocycline
Limecycline
Micycline
Sumycin syrup
Medocycline
(-)-Tetracycline
Bio-Tetra
NSC 108579
Actisite
Latycin
Steclin V
Nu-Tetra
Florocycline
Tetramig
Akne-Pyodron Kur
Akne-Pyodron
Dispatetrin
Quimocyclin N
Sagittacin N
Tetracitro S
Acromicina
Calociclina
Ibicyn
Spaciclina
Tetra-Proter
Tetrabioptal
Tetrafosammina
Arcanacycline
Gammatet
Retet
Britaciclina
Kinciclina
Quimpe Antibiotico
Tetra Hubber
Tetralen
Servitet
Tetraseptine
Triphacycline
Economycin
NorTet
Robitet Robicaps
Tetracap
Tetralan
Identifiers:
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:
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 444.44 g/mol | Legacy Database |
| cas-canonical-smile | O=C(N)C=1C(=O)C2(O)C(O)=C3C(=O)C=4C(O)=CC=CC4C(O)(C)C3CC2C(C1O)N(C)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=OFVLGDICTFRJMM-WESIUVDSSA-N None | Legacy Database |
| cas-melting-point | 5-170 °C None | Legacy Database |
| cas-name | (-)-Tetracycline None | Legacy Database |
| LogP | 0.8355699999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 444.44000000000017 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 444.15326572799995 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 32 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 9 count | RDKit |
| Hydrogen Bond Donors | 7 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 182.60999999999999 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 110.70200000000004 | RDKit |
