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Minocycline

Athanor · official

C23H27N3O7 · 457.5 g/mol

IUPAC name: 4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Also called Minocin, Solodyn, tetracycline

DrugsNatural products
Open in Athanor
The structure of Minocycline
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Synonyms
Minocin, Solodyn, tetracycline
+ 28 more

SCHEMBL1820770, 4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, Minocyn, Tri-minocycline, Oprea1_104816, MLS006011741, orb2283052, SCHEMBL4097779, SCHEMBL4097787, SCHEMBL8174737, SCHEMBL25922529, SCHEMBL29383057, DYKFCLLONBREIL-UHFFFAOYSA-N, DTXSID601372474, 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, [4S-(4.alpha.,4a.alpha.,5a.alpha.,12a.alpha.)]-, BBL037430, MFCD03257222, STK177317, AKOS001669332, AKOS022081889, NCGC00024292-02, SMR004703465, VS-14146, DB-262761, EU-0081131, 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, 4,7-Bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide, 4,7-Bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide

Molecular formula
C23H27N3O7
Empirical formula
C23H27N3O7
Molecular weight
457.5 g/mol
Exact mass
457.18490
CAS number
10118-90-8
PubChem CID
54687237
Canonical SMILES
CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C
Isomeric SMILES
CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C
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/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32)
InChIKey
FFTVPQUHLQBXQZ-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
33
Rings
4
Aromatic rings
1
Fraction sp³ carbons (Fsp3)
0.43
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
3
TPSA (Ų)
164.6 computed here · PubChem 165
Formal charge
0
XLogP3
-0.6 PubChem
Complexity
971 PubChem
Stereocenters
0 defined, 4 undefinedCIP: C4: undefined · C13: undefined · C15: undefined · C17: undefined
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C60.39%
  • H5.95%
  • N9.19%
  • O24.48%

Isotope pattern

100%457.18527%458.1884.8%459.191460.193

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
0.19 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-2.73 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
4.34 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 457.48
  • log P ≤ 5 (Crippen): 0.19
  • H-bond donors ≤ 5: 5
  • H-bond acceptors ≤ 10: 9

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

No GHS hazard classification was found in the sources.

Safety data sheets on the supplier’s page: Chem-Space.com Database, Key Organics/BIONET, Biorbyt.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  2. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  3. ·Literature on PubChem

Data last updated 2026-10-14.