Chlortetracycline

C22H23ClN2O8CAS 57-62-5478.88 g/mol

Open in Covalent MOL file
NHOH2NOOHOHOOHOClOH
AlcoholAlkeneAryl halideKetonePhenolTertiary amine

Properties

Molecular formula
C22H23ClN2O8
Molar mass
478.88 g/mol
Exact mass
478.1143 Da
Density
1.52 g/mL
Melting point
168.5 °C
logP
1.49Crippen estimate
Polar surface area
182.6 Ų
H-bond donors / acceptors
7 / 9
Rotatable bonds
2
Stereocentres
S, S, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
57-62-5
SMILES
CN(C)[C@@H]1C(O)=C(C(=N)O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12
InChIKey
CYDMQBQPVICBEU-XRNKAMNCSA-N
InChI
InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

38 names · show all
  • 2-Naphthacenecarboxamide, 7-chloro-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, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-
  • 2-Naphthacenecarboxamide, 7-chloro-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)]-
  • (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide
  • Acronize
  • Acronize PD
  • Aureocina
  • Aureomykoin
  • Biomycin
  • 7-Chlorotetracycline
  • 7-Chlortetracycline
  • Chrysomykine
  • CTC
  • Duomycin
  • Flamycin
  • Aureomycin
  • Chlortetracyclin
  • Aurofac 10
  • Biomycin a
  • Aurofac
  • Aureociclin
  • Aureocarmyl
  • Aureomicina
  • Tri-chlortetracycline
  • Uromycin
  • CTC (antibiotic)
  • Chrusomykine
  • Orospray
  • Centraureo
  • Aureomycin 100G
  • Chlorocyclinum
  • A-Mycin
  • Chloratet 50
  • 7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide
  • 7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
  • 4-(Dimethylamino)-7-chloro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,5,6,12a,4a,5a-hexahydronaphthacene-2-carboxamide
  • 7-Chloro-4-dimethylamino-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
  • JinMeiSu

Work with Chlortetracycline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Chlortetracycline hydrochloride64-72-2Salt

Similar compounds

(-)-Tetracycline60-54-878 % similar (-)-Tetracycline hydrochloride64-75-575 % similar Demeclocycline hydrochloride64-73-367 % similar Sancycline808-26-463 % similar Minocycline10118-90-861 % similar Minocycline hydrochloride13614-98-759 % similar Oxytetracycline79-57-257 % similar Oxytetracycline hydrochloride2058-46-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methacycline hydrochloride3963-95-9

Elsewhere

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