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(-)-Tetracycline

CAS: 60-54-8 | C22H24N2O8

2D Structure

3D Structure

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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.

External Resources

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

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