Chemical identity

(16b)-21-(Acetyloxy)-2'-methyl-5'H-Pregna-1,4-dieno[17,16-d]oxazole-3,11,20-trione

CAS 13649-84-8 · C25H29NO6

01Identity

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

Lazychem IDLC-12149
PubChem CID139025719
Name(16b)-21-(Acetyloxy)-2'-methyl-5'H-Pregna-1,4-dieno[17,16-d]oxazole-3,11,20-trione
CAS RN13649-84-8
Molecular formulaC25H29NO6
Molecular weight439.51 g/mol
IUPAC name2-oxo-2-((6aR,6bS,8aS,8bS,11aR,12aS,12bS)-6a,8a,10-trimethyl-4,7-dioxo-1,2,4,6a,6b,7,8,8a,11a,12,12a,12b-dodecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d]oxazol-8b-yl)ethyl acetate
InChIKeyVJUGFCDBNUADOZ-NEFXMTTNSA-N

02Structure identifiers

2D structurePubChem CID 139025719
Two-dimensional chemical structure of (16b)-21-(Acetyloxy)-2'-methyl-5'H-Pregna-1,4-dieno[17,16-d]oxazole-3,11,20-trione, CAS 13649-84-8
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 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres7
Unassigned stereocentres0
Ring count5
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(CC(=O)[C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)C)C(=O)COC(=O)C
InChINot listed
Formula from structureC25H29NO6
Molecular weight from structure439.51 g/mol

03Stereochemistry

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

Defined centres7Structure assigned
Unassigned centres0Structure unspecified
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 / RCSNO EXACT MATCH FOUNDCAS 13649-84-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 13649-84-8 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

Deflazacort

View API and impurity family

Other names

  • Deflazacort Impurity 6
  • (16b)-21-(Acetyloxy)-2'-methyl-5'H-Pregna-1,4-dieno[17,16-d]oxazole-3,11,20-trione
  • 13649-84-8
  • Deflazacort Impurity 3
  • 21-Hydroxy-2'-methyl-5'betaH-Pregna-1,4-dieno[17,16-d]oxazole-3,11,20-trione Acetate (Ester)
  • Deflazacort Impurity
  • 7WCA3Z2SCX
  • (16beta)-21-(Acetyloxy)-2'-methyl-5'H-Pregna-1,4-dieno[17,16-d]oxazole-3,11,20-trione
  • 2-Oxo-2-[(1S,2S,4R,8S,9S,12S,13R)-6,9,13-trimethyl-11,16-dioxo-5-oxa-7-azapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-6,14,17-trien-8-yl]ethyl acetate
  • 5'betaH-Pregna-1,4-dieno[17,16-d]oxazole-3,11,20-trione, 21-hydroxy-2'-methyl-, acetate (ester)
  • 5'H-Pregna-1,4-dieno[17,16-d]oxazole-3,11,20-trione, 21-(acetyloxy)-2'-methyl-, (16beta)-

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