Minocycline

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Systematic / IUPAC Name: (4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboximidic acid

ID: Reference3226

Other Names: Akamin;
Aknemin;
Apo-minocycline;
Minociclinum;
Minocyclin ; more

Formula: C23H27N3O7

Class: Therapeutics/Prescription Drugs Endogenous Metabolites

Spectral Data

Minocycline mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP ; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 963
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 11/4/2015 9:52:23 AM
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Identificators

InChI InChI=1S/C23H27N3O7/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)/t9-,11-,17-,23-/m0/s1
InChI Key DYKFCLLONBREIL-KVUCHLLUSA-N
Canonical SMILES
CAS 10118908
Splash
Other Names Akamin;
Aknemin;
Apo-minocycline;
Minociclinum;
Minocyclin;
Minocyclinum;
Minoderm;
Minopen;
Mino-tabs;
Minox;
Minoz;
Sebomin;
Solodyn;
Unii-fyy3R43wgo;
(4S,4AS,5AR,12AS)-4,7-Bis(dimethylamino)-3,10,12,12A-tetrahydroxy-1,11-dioxo-1,4,4A,5,5A,6,11,12A-octahydrotetracene-2-carboxamide;
2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)-;
7-Dimethylamino-6-demethyl-6-deoxytetracycline

In Other Databases

DrugBank DB01017
HMDb HMDB15152
ChemSpider 16735907
KEGG C07225; D05045
ChEBI CHEBI:77906; CHEBI:50694
Wikipedia Minocycline