Chemical identity

Prednisolone Impurity C / Prednisolone-21-carboxylic Acid

CAS 61549-70-0 · C21H26O6

01Identity

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

Lazychem IDLC-25892
PubChem CID154734226
NamePrednisolone Impurity C / Prednisolone-21-carboxylic Acid
CAS RN61549-70-0
Molecular formulaC21H26O6
Molecular weight374.43 g/mol
IUPAC name21-Oxo-11β,17,21-trihydroxypregna-1,4-diene-3,20-dione
InChIKeyFICRVHUOJZUSPV-TZAHIGRSSA-N

02Structure identifiers

2D structurePubChem CID 154734226
2D structure: Prednisolone Impurity C / Prednisolone-21-carboxylic Acid, CAS 61549-70-0
Structure of Prednisolone Impurity C / Prednisolone-21-carboxylic Acid (CAS 61549-70-0). LazyChem record. Source identity: PubChem CID 154734226. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC21H26O6
InChIKeyFICRVHUOJZUSPV-TZAHIGRSSA-N
Ring count4
Defined stereocentres6
Unassigned stereocentres2
SMILESC[C@]12CC([C@H]3[C@@H]([C@H]1CC[C@@]2(C(=O)C(C(=O)O)O)O)CCC4=CC(=O)C=C[C@]34C)O
InChIInChI=1S/C22H28O7/c1-20-7-5-12(23)9-11(20)3-4-13-14-6-8-22(29,18(26)17(25)19(27)28)21(14,2)10-15(24)16(13)20/h5,7,9,13-17,24-25,29H,3-4,6,8,10H2,1-2H3,(H,27,28)/t13-,14-,15?,16-,17?,20+,21+,22+/m1/s1

03Stereochemistry

The published structure contains 6 defined and 2 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres62D structure
Unassigned stereocentres22D structure
Assignment statusPartially 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.

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 61549-70-0 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 61549-70-0 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 Impurity C

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