Chemical identity

Methylprednisolone EP Impurity A / Methylprednisolone Related Compound A / 6α-Methylprednisone

CAS 91523-05-6 · C22H28O5

01Identity

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

Lazychem IDLC-20130
PubChem CID124653
NameMethylprednisolone EP Impurity A / Methylprednisolone Related Compound A / 6α-Methylprednisone
CAS RN91523-05-6
Molecular formulaC22H28O5
Molecular weight372.46 g/mol
IUPAC name17,21-dihydroxy-6α-methylpregna-1,4-diene-3,11,20-trione
InChIKeySVYCRJXQZUCUND-PQXSVQADSA-N

02Structure identifiers

2D structurePubChem CID 124653
2D structure: Methylprednisolone EP Impurity A / Methylprednisolone Related Compound A / 6α-Methylprednisone, CAS 91523-05-6
Structure of Methylprednisolone EP Impurity A / Methylprednisolone Related Compound A / 6α-Methylprednisone (CAS 91523-05-6). LazyChem record. Source identity: PubChem CID 124653. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC22H28O5
InChIKeySVYCRJXQZUCUND-PQXSVQADSA-N
Ring count4
Defined stereocentres7
Unassigned stereocentres0
SMILESC[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC(=O)[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)CO)O
InChIInChI=1S/C22H28O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,19,23,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,19+,20-,21-,22-/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

2 records

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.

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 91523-05-6 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 91523-05-6 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

  • Methylprednisolone EP Impurity A
  • Methylprednisolone Related Compound A
  • 6α-Methylprednisone
  • 6-Methylprednisone
  • Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-6-methyl-, (6alpha)-
  • 6alpha-Methylprednisone
  • Methylprednisone
  • 6a-Methyl Prednisone

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