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Oxytetracycline
CAS: 79-57-2 | C22H24N2O9
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
79-57-2
Molecular Formula:
C22H24N2O9
Molecular Weight:
460.43900000000014 g/mol
Names and Synonyms:
Oxytetracycline
Tormicina
4-Dimethylamino-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
Erfamycin
Oxysentin 100
Oxymed 50
Oxylim
Oxiter 200
Oxycline
Oxytetral
Abbocin
Stevasin
Terralon LA
Unimycin
Imperacin
Oxatets
Oxydon
OXTC
Clinimycin
Stecsolin
Oxyject LA
TM 50
Geotilin
LA 200
Mycoshield TMQTHC 20
Terramycin Q 50
Antibiotic TM 25
Geomycin
Ursocyclin
Tarocyn
Tarosin
Liquamycin LA 200
Ursocycline
Teravit
OTC (antibiotic)
Dabicycline
Liquamycin
Oxypam
Lenocycline
Geomycin (Streptomyces vimosus)
Oxymycin
Fanterrin
Stevacin
Oksisyklin
Solkaciclina
NSC 9169
Berkmycen
Proteroxyna
Adamycin
Oxy-Kesso-Tetra
Oxytetracyclin
Macocyn
Vendarcin
Oxyterracin
Oxitetracyclin
Oxyterracine
Tetran
Terramycin
Oxytetracycline amphoteric
Terrafungine
Ryomycin
Riomitsin
Oxytetracycline
Oxyterracyne
Oxymykoin
OTC
5-Hydroxytetracycline
Biostat PA
(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
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)]-
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-
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)-
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]3[C@H](O)[C@@H]12
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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 460.43900000000014 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 460.1481803479999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 33 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 10 count | RDKit |
| Hydrogen Bond Donors | 8 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 | 202.83999999999997 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.1936300000000003 | RDKit |
| molecular_mass | 460.44 g/mol | Legacy Database |
| density | 1.63 g/cm³ | Legacy Database |
| cas-canonical-smile | 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 None | Legacy Database |
| cas-density | 1.634 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=IWVCMVBTMGNXQD-PXOLEDIWSA-N None | Legacy Database |
| cas-melting-point | 184-185 °C None | Legacy Database |
| cas-name | Oxytetracycline None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 112.09180000000002 | RDKit |
