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Oxytetracycline
CAS: 79-57-2 | C22H24N2O9
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
79-57-2
Molecular Formula:
C22H24N2O9
Molecular Mass:
460.44 g/mol
Names and Synonyms:
Oxytetracycline
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)-
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-(4α,4aα,5α,5aα,6β,12aα)]-
(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
Biostat PA
5-Hydroxytetracycline
OTC
Oxymykoin
Oxyterracyne
Oxytetracycline
Riomitsin
Ryomycin
Terrafungine
Oxytetracycline amphoteric
Terramycin
Tetran
Oxyterracine
Oxitetracyclin
Oxyterracin
Vendarcin
Macocyn
Oxytetracyclin
Oxy-Kesso-Tetra
Adamycin
Proteroxyna
Berkmycen
NSC 9169
Solkaciclina
Oksisyklin
Stevacin
Fanterrin
Oxymycin
Geomycin (Streptomyces vimosus)
Lenocycline
Oxypam
Liquamycin
Dabicycline
OTC (antibiotic)
Teravit
Ursocycline
Liquamycin LA 200
Tarosin
Tarocyn
Ursocyclin
Geomycin
Antibiotic TM 25
Terramycin Q 50
Mycoshield TMQTHC 20
LA 200
Geotilin
TM 50
Oxyject LA
Stecsolin
Clinimycin
OXTC
Oxydon
Oxatets
Imperacin
Unimycin
Terralon LA
Stevasin
Abbocin
Oxytetral
Oxycline
Oxiter 200
Oxylim
Oxymed 50
Oxysentin 100
Erfamycin
4-Dimethylamino-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
Tormicina
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
Key Properties
Melting Point
184-185 °C
CAS Common Chemistry
Density
1.63 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 460.44 g/mol | CAS Common Chemistry |
| 460.43900000000014 g/mol | RDKit | |
| 460.1481803479999 g/mol | RDKit | |
| Density | 1.63 g/cm³ | CAS Common Chemistry |
| 1.634 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Canonical SMILES | 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 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=IWVCMVBTMGNXQD-PXOLEDIWSA-N | CAS Common Chemistry |
| Melting Point | 184-185 °C | CAS Common Chemistry |
| Name | Oxytetracycline | CAS Common Chemistry |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 202.83999999999997 Ų | RDKit |
| LogP | -0.1936300000000003 | RDKit |
| Molar Refractivity | 112.09180000000002 | RDKit |
