chempirical

Methacycline hydrochloride

C22H23ClN2O8CAS 3963-95-9478.88 g/mol

Open in Covalent MOL file
OHOOHOHOH2NOHONOHHCl
AlcoholAlkeneKetonePhenolTertiary amine

Properties

Molecular formula
C22H23ClN2O8
Molar mass
478.88 g/mol
Exact mass
478.1143 Da
logP
1.03Crippen estimate
Polar surface area
182.6 Ų
H-bond donors / acceptors
7 / 9
Rotatable bonds
2
Stereocentres
S, S, R, S, Rin SMILES atom order

Identifiers

CAS number
3963-95-9
SMILES
C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=N)O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.Cl
InChIKey
VZQARNDJLLWXGL-CCHMMTNSSA-N
InChI
InChI=1S/C22H22N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31);1H/t10-,14-,15+,17+,22+;/m1./s1

Weigh it out

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

Names and synonyms

22 names · show all
  • Metadomus
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-, hydrochloride (1:1), (4S,4aR,5S,5aR,12aS)-
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-, monohydrochloride
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-, monohydrochloride, [4S-(4α,4aα,5α,5aα,12aα)]-
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,12aS)-
  • 6-Demethyl-6-deoxy-6-methyleneoxytetracycline monohydrochloride
  • Methacycline monohydrochloride
  • 6-Methylene-5-hydroxytetracycline chlorohydrate
  • 6-Methylene-5-hydroxytetracycline hydrochloride
  • 6-Demethyl-6-deoxy-6-methylene-5-hydroxytetracycline hydrochloride
  • Metacycline hydrochloride
  • 6-Methyleneoxytetracycline hydrochloride
  • 6-Demethyl-6-deoxy-5-hydroxy-6-methylenetetracycline hydrochloride
  • Metacyclin hydrochloride
  • Rindex
  • Adriamicina
  • Physiomycine
  • Metilenbiotic
  • Ciclobiotic
  • Londomycin
  • Germiciclin
  • Optimycin

Work with Methacycline 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

Similar compounds

Doxycycline hydrochloride100929-47-370 % similar Doxycycline hydrochloride10592-13-970 % similar Oxytetracycline hydrochloride2058-46-069 % similar Doxycycline564-25-066 % similar Oxytetracycline79-57-265 % similar Doxycycline monohydrate17086-28-164 % similar Oxytetracycline calcium7179-50-264 % similar Oxytetracycline dihydrate6153-64-663 % similar

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

Same formula

Chlortetracycline57-62-5

Elsewhere

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