Chemical identity

EINECS 229-540-7

CAS 6598-95-4 · C26H31FO7

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-15520
PubChem CID111225
NameEINECS 229-540-7
CAS RN6598-95-4
Molecular formulaC26H31FO7
Molecular weight474.53 g/mol
IUPAC name2-((2S,6aS,6bS,7aS,8aS,8bS,11aR,12aS,12bS)-2-fluoro-6a,8a,10,10-tetramethyl-4-oxo-1,4,6a,7a,8,8a,11a,12,12a,12b-decahydronaphtho[2',1':4,5]oxireno[2',3':5,6]indeno[1,2-d][1,3]dioxol-8b(2H)-yl)-2-oxoethyl acetate
InChIKeyMQQZOQZVFKAHJB-ANHKYHMRSA-N

02Structure identifiers

2D structurePubChem CID 111225
Two-dimensional chemical structure of EINECS 229-540-7, CAS 6598-95-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 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
Unassigned stereocentres0
Ring count6
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@H]4[C@@]5([C@H]3C[C@@H](C6=CC(=O)C=C[C@@]65C)F)O4)C)OC(O2)(C)C
InChINot listed
Formula from structureC26H31FO7
Molecular weight from structure474.53 g/mol

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

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 6598-95-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 6598-95-4 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Fluocinonide

View API and impurity family

Other names

  • Fluocinonide Impurity 3
  • 9beta,11beta-Epoxy-6alpha-fluoro-21-hydroxy-16alpha,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate
  • 6598-95-4
  • (6alpha,9beta,11beta,16alpha)-21-(Acetyloxy)-9,11-epoxy-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
  • [2-[(1S,3S,5S,6S,10R,12S,13S,15S,21S)-15-Fluoro-5,8,8,21-tetramethyl-18-oxo-2,7,9-trioxahexacyclo[11.8.0.01,3.05,12.06,10.016,21]henicosa-16,19-dien-6-yl]-2-oxoethyl] acetate
  • EINECS 229-540-7
  • DTXSID50984462
  • H81530
  • F571491
  • 2-((2S,6aS,6bS,7aS,8aS,8bS,11aR,12aS,12bS)-2-fluoro-6a,8a,10,10-tetramethyl-4-oxo-1,2,4,6a,7a,8,8a,8b,11a,12,12a,12b-dodecahydronaphtho[2',1':4,5]oxireno[2',3':5,6]indeno[1,2-d][1,3]dioxol-8b-yl)-2-oxoethyl acetate
  • 2-(12-Fluoro-4a,6a,8,8-tetramethyl-2-oxo-2,5a,6,6a,9a,10,10a,10b,11,12-decahydro-8H-naphtho[2',1':4,5]oxireno[5,6]indeno[1,2-d][1,3]dioxol-6b(4aH)-yl)-2-oxoethyl acetate
  • 2-[(4aS,4bS,5aS,6aS,6bS,9aR,10aS,10bS,12S)-12-Fluoro-4a,6a,8,8-tetramethyl-2-oxo-2,5a,6,6a,9a,10,10a,10b,11,12-decahydro-8H-naphtho[2',1':4,5]oxireno[5,6]indeno[1,2-d][1,3]dioxol-6b(4aH)-yl]-2-oxoethyl acetate

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources