Chemical identity

16α-Methyl Prednisolone

CAS 10417-63-7 · C22H30O5

01Identity

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

Lazychem IDLC-04221
PubChem CID10429502
Name16α-Methyl Prednisolone
CAS RN10417-63-7
Molecular formulaC22H30O5
Molecular weight374.47 g/mol
IUPAC name(8S,9S,10R,11S,13S,14S,16R,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
InChIKeyWNYLPFCKNQAAMB-PPUNREKOSA-N

02Structure identifiers

2D structurePubChem CID 10429502
2D structure: 16α-Methyl Prednisolone, CAS 10417-63-7
Structure of 16α-Methyl Prednisolone (CAS 10417-63-7). LazyChem record. Source identity: PubChem CID 10429502. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC22H30O5
InChIKeyWNYLPFCKNQAAMB-PPUNREKOSA-N
Ring count4
Defined stereocentres8
Unassigned stereocentres0
SMILESC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C
InChIInChI=1S/C22H30O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-17,19,23,25,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19-,20+,21+,22+/m1/s1

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres82D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 256Before symmetry reduction

Published same-connectivity configurations

4 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 10417-63-7 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 10417-63-7 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

  • 16I+--Methylprednisolone
  • 16alpha-Methyl Prednisolone
  • 16a-Methyl Prednisolone
  • (8S,9S,10R,11S,13S,14S,16R,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
  • Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-16-methyl-, (11ss,16a)-
  • Pregna-1,4-diene-3,20-dione, 11ss,17,21-trihydroxy-16a-methyl- (7CI,8CI)
  • (11ss,16a)-11,17,21-Trihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • 16a-Methylprednisolone

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