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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 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.

External Resources

PubChem CAS NIST

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
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
LogP -0.1936300000000003 RDKit

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

Molar

Property Value Source
Molar Refractivity 112.09180000000002 RDKit

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