Chemical identity

Loteprednol Etabonate Ethyl Ester / Prednisolone 20-ethyl ester

CAS 182069-19-8 · C25H34O7

01Identity

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

Lazychem IDLC-19189
PubChem CID169443012
NameLoteprednol Etabonate Ethyl Ester / Prednisolone 20-ethyl ester
CAS RN182069-19-8
Molecular formulaC25H34O7
Molecular weight446.53 g/mol
IUPAC name(11β,17α)-17-[(Ethoxycarbonyl)oxy]-11-hydroxy-3-oxo-androsta-1,4-diene-17-carboxylic Acid Ethyl Ester
InChIKeySOJSRTALWUNZQB-YVRDLUAPSA-N

02Structure identifiers

2D structurePubChem CID 169443012
2D structure: Loteprednol Etabonate Ethyl Ester / Prednisolone 20-ethyl ester, CAS 182069-19-8
Structure of Loteprednol Etabonate Ethyl Ester / Prednisolone 20-ethyl ester (CAS 182069-19-8). LazyChem record. Source identity: PubChem CID 169443012. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC25H34O7
InChIKeySOJSRTALWUNZQB-YVRDLUAPSA-N
Ring count4
Defined stereocentres7
Unassigned stereocentres0
SMILESCCOC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)OC(=O)OCC
InChIInChI=1S/C25H34O7/c1-5-30-21(28)25(32-22(29)31-6-2)12-10-18-17-8-7-15-13-16(26)9-11-23(15,3)20(17)19(27)14-24(18,25)4/h9,11,13,17-20,27H,5-8,10,12,14H2,1-4H3/t17-,18-,19-,20+,23-,24-,25-/m0/s1

03Stereochemistry

The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres72D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 128Before 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 182069-19-8 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 182069-19-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Prednisolone/ Loteprednol

View API and impurity family

Other names

  • Loteprednol Etabonate Ethyl Ester
  • ethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
  • Loteprednol Etabonate Ethyl Ester (Prednisolone 20-Ethyl Ester)
  • ethyl (8S,9S,10R,11S,13S,14S,17R)-17-((ethoxycarbonyl)oxy)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylate

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