chempirical

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. Search the SDS library

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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