Identitet

Doxycycline

CAS 564-25-0 · C22H24N2O8

01Identitet

Lazychem IDLC-13510
CAS RN564-25-0
PubChem CID54671203
Molecular formulaC22H24N2O8
Molecular weight444.44 g/mol
IUPAC name(4S,4aR,5S,5aR,6R,12aS)-4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
InChIKeySGKRLCUYIXIAHR-AKNGSSGZSA-N

02Struktur og stereokemi

2D structurePubChem CID 54671203
Two-dimensional chemical structure of Doxycycline, CAS 564-25-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres6
Ring count4
Secondary amines0
Tertiary amines1
SMILESC[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
InChIIkke angivet

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

5 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Status i Indien

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Navne og relationer

API og moderlægemiddel

Doxycycline

Urenheder og beslægtede forbindelser

Navne og relationer

  • doxycycline
  • 4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboximidic acid
  • DTXSID80992212
  • 7164-70-7
  • RefChem:1070088
  • DTXCID301419281
  • 564-25-0
  • Vibramycin
  • Doxytetracycline
  • Doxycycline (anhydrous)
  • Doxycyclinum
  • Monodox

Urenheder og beslægtede forbindelser

06Kilder