Minocycline hydrochloride

C23H28ClN3O7CAS 13614-98-7493.94 g/mol

Open in Covalent MOL file
NOHNOHNH2OOOHOHOHCl
AlcoholAlkeneKetonePhenolTertiary amine

Properties

Molecular formula
C23H28ClN3O7
Molar mass
493.94 g/mol
Exact mass
493.1616 Da
Melting point
155–161 °C (decomposes)
logP
1.66Crippen estimate
Polar surface area
165.6 Ų
H-bond donors / acceptors
6 / 9
Rotatable bonds
3
Stereocentres
R, 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
13614-98-7
SMILES
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(=N)O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cl
InChIKey
GLMUAFMGXXHGLU-VQAITOIOSA-N
InChI
InChI=1S/C23H27N3O7.ClH/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28;/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32);1H/t9-,11-,17-,23-;/m0./s1

Weigh it out

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

Names and synonyms

13 names · show all
  • Vectrin
  • 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, hydrochloride (1:1), (4S,4aS,5aR,12aS)-
  • 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, monohydrochloride
  • 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, monohydrochloride, [4S-(4α,4aα,5aα,12aα)]-
  • 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, monohydrochloride, (4S,4aS,5aR,12aS)-
  • Minocin
  • Minocycline chloride
  • Periocline
  • Klinomycin
  • Minomycin
  • NSC 141993
  • Acnez
  • Periofeel

Work with Minocycline 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.

Minocycline10118-90-8Free base

Similar compounds

Sancycline808-26-472 % similar Tigecycline220620-09-764 % similar Demeclocycline hydrochloride64-73-363 % similar (-)-Tetracycline hydrochloride64-75-563 % similar Chlortetracycline hydrochloride64-72-263 % similar (-)-Tetracycline60-54-859 % similar Chlortetracycline57-62-559 % similar Doxycycline hydrochloride100929-47-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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