chempirical

Chlortetracycline hydrochloride

C22H24Cl2N2O8CAS 64-72-2515.34 g/mol

Open in Covalent MOL file
NHOH2NOOHOHOOHOClOHHCl
AlcoholAlkeneAryl halideKetonePhenolTertiary amine

Properties

Molecular formula
C22H24Cl2N2O8
Molar mass
515.34 g/mol
Exact mass
514.0910 Da
logP
1.91Crippen 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. Search the SDS library

Identifiers

CAS number
64-72-2
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.Cl
InChIKey
CBHYYLPALVVVEY-MRFRVZCGSA-N
InChI
InChI=1S/C22H23ClN2O8.ClH/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);1H/t7-,8-,15-,21-,22-;/m0./s1

Weigh it out

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

Names and synonyms

17 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-, hydrochloride (1:1), (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-, monohydrochloride
  • 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-, monohydrochloride, [4S-(4α,4aα,5aα,6β,12aα)]-
  • 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-, monohydrochloride, (4S,4aS,5aS,6S,12aS)-
  • Aureomycin monohydrochloride
  • Chlortetracyclinium chloride
  • Aureocycline
  • Aureomycin hydrochloride
  • Biomycin hydrochloride
  • 7-Chlorotetracycline hydrochloride
  • 7-Chlorotetracycline monohydrochloride
  • Aurofac 100
  • Aureovit 12C80
  • Isphamycin
  • Aureociclina
  • Fermycin soluble
  • NSC 13252

Work with Chlortetracycline hydrochloride

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.

Chlortetracycline57-62-5Free base

Similar compounds

(-)-Tetracycline hydrochloride64-75-579 % similar (-)-Tetracycline60-54-875 % similar Demeclocycline hydrochloride64-73-371 % similar Minocycline hydrochloride13614-98-763 % similar Sancycline808-26-461 % similar Minocycline10118-90-859 % similar Oxytetracycline hydrochloride2058-46-058 % similar Oxytetracycline79-57-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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