Identitet

Desonide Bromo Impurity

CAS 39672-77-0 · C24H31BrO6

01Identitet

Lazychem IDLC-12477
CAS RN39672-77-0
PubChem CID101638606
Molecular formulaC24H31BrO6
Molecular weight495.4 g/mol
IUPAC name9α-Bromo-11b,21-dihydroxy-16α,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
InChIKeyHEPIBRLGCSXTQU-JNQJZLCISA-N

02Struktur og stereokemi

2D structurePubChem CID 101638606
Two-dimensional chemical structure of Desonide Bromo Impurity, CAS 39672-77-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aliphatic carbon, has 8 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres8
Ring count5
Secondary amines0
Tertiary amines0
SMILESC[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)Br)O
InChIIkke angivet

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 256Before 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.

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

Desonide

Urenheder og beslægtede forbindelser

Navne og relationer

  • 9α-Bromodesonide
  • Bromodesonide
  • 39672-77-0
  • 9alpha-Bromodesonide
  • S3VK6N29U8
  • Bromodesonide [USP]
  • UNII-S3VK6N29U8
  • (1S,2S,4R,8S,9S,11S,12R,13S)-12-bromo-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
  • 9-Bromo-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione, 16,17-acetonide
  • 9a-Bromodesonide ~90%
  • 9
  • A-Bromodesonide

Urenheder og beslægtede forbindelser

06Kilder