Identita

6-beta Hydroxy Dexamethasone

CAS 55879-47-5 · C22H29FO6

01Identita

Lazychem IDLC-03654
CAS RN55879-47-5
PubChem CID63050
Molecular formulaC22H29FO6
Molecular weight408.46 g/mol
IUPAC name(6β,11β,16α)-9-Fluoro-6,11,17,21-tetrahydroxy-16-methylpregna-1,4-diene-3,20-dione
InChIKeyRVBSTEHLLHXILB-QODHSQIYSA-N

02Struktura a stereochemie

2D structurePubChem CID 63050
Two-dimensional chemical structure of 6-beta Hydroxy Dexamethasone, CAS 55879-47-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 9 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres9
Ring count4
Secondary amines0
Tertiary amines0
SMILESC[C@@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)O
InChINeuvedeno

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before symmetry reduction

Published same-connectivity configurations

2 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.

04Stav v Indii

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

05Názvy a vztahy

API a mateřské léčivo

Dexamethasone

Nečistoty a související sloučeniny

Názvy a vztahy

  • 6-Hydroxydexamethasone
  • 55879-47-5
  • 6-BHDM
  • 017VSH97RJ
  • DTXSID10204471
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-6,11,17,21-tetrahydroxy-16-methyl-, (6beta,11beta,16alpha)-
  • RefChem:104771
  • DTXCID10126962
  • 6beta-Hydroxydexamethasone
  • 6
  • A-Hydroxy Dexamethasone
  • (6R,8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

Nečistoty a související sloučeniny

06Zdroje