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Molecule record

(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

C22H24N2O8

444.44 g/mol

Loading structure

Molecular properties

Formula
C22H24N2O8
Molar mass
444.44 g·mol−1
Exact mass
444.1533 Da
12
PubChem CID
54671203

Functional groups

Alcohol
Alkane / alkyl carbon
Alkene
Amide
Aromatic ring
Ketone
Phenol
Primary amine
Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 5-Hydroxy-alpha-6-deoxytetracycline
  • 564-25-0
  • 6-alpha-Deoxy-5-oxytetracycline
  • 6alpha-Deoxy-5-oxytetracycline
  • 7164-70-7
  • Anhydrous doxycycline
  • BMY-28689
  • DTXCID301419281
Show all 24 synonyms
  • DTXSID80992212
  • Doxiciclina
  • Doxychel
  • Doxycyclin
  • Doxycycline (INN)
  • Doxycycline (anhydrous)
  • Doxycycline hyclate
  • Doxycyclinum
  • Doxytetracycline
  • Liviatin
  • Monodox
  • RefChem:1070088
  • Vibramycin
  • Vibramycine
  • alpha-6-Deoxy-5-hydroxytetracycline
  • doxycycline

Structure identifiers

Canonical SMILES
C[C@H]1c2cccc(O)c2C(O)=C2C(=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]21
Isomeric SMILES
C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O
InChI
InChI=1S/C22H24N2O8/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/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1
InChIKey
SGKRLCUYIXIAHR-AKNGSSGZSA-N
PubChem CID
54671203

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record
(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-… - Formula, Structure | ChemArche