Chemical identity

Prednisolone Impurity D / 11β-Hydroxyboldione

CAS 898-84-0 · C19H24O3

01Identity

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

Lazychem IDLC-25893
PubChem CID9873539
NamePrednisolone Impurity D / 11β-Hydroxyboldione
CAS RN898-84-0
Molecular formulaC19H24O3
Molecular weight300.39 g/mol
IUPAC name11β-Hydroxyandrosta-1,4-diene-3,17-dione
InChIKeyZHOLUHXKCIXGSR-KCZNZURUSA-N

02Structure identifiers

2D structurePubChem CID 9873539
2D structure: Prednisolone Impurity D / 11β-Hydroxyboldione, CAS 898-84-0
Structure of Prednisolone Impurity D / 11β-Hydroxyboldione (CAS 898-84-0). LazyChem record. Source identity: PubChem CID 9873539. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC19H24O3
InChIKeyZHOLUHXKCIXGSR-KCZNZURUSA-N
Ring count4
Defined stereocentres6
Unassigned stereocentres0
SMILESC[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C)O
InChIInChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-15,17,21H,3-6,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1

03Stereochemistry

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

Defined stereocentres62D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 898-84-0 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 898-84-0 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Prednisolone

View API and impurity family

Other names

  • Prednisolone Inhouse Impurity D
  • 11β-Hydroxyboldione
  • 11beta-Hydroxyboldione
  • Kurchinin, (11S)-
  • 11beta-hydroxyandrosta-1,4-diene-3,17-dione
  • 1,4-Androstadien-11beta-ol-3,17-dione
  • 11beta-Hydroxyandrosta-1,4-dien-3,17-dione
  • Androsta-1,4-diene-3,17-dione, 11beta-hydroxy-
  • Androsta-1,4-diene-3,17-dione, 11-hydroxy-, (11beta)-

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