Chemical identity

Prednisolone 17-valerate

CAS 15180-00-4 · C26H36O6

01Identity

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

Lazychem IDLC-25866
PubChem CID9824723
NamePrednisolone 17-valerate
CAS RN15180-00-4
Molecular formulaC26H36O6
Molecular weight444.56 g/mol
IUPAC name(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl pentanoate
InChIKeyBOFKYYWJAOZDPB-FZNHGJLXSA-N

02Structure identifiers

2D structurePubChem CID 9824723
2D structure: Prednisolone 17-valerate, CAS 15180-00-4
Structure of Prednisolone 17-valerate (CAS 15180-00-4). LazyChem record. Source identity: PubChem CID 9824723. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC26H36O6
InChIKeyBOFKYYWJAOZDPB-FZNHGJLXSA-N
Ring count4
Defined stereocentres7
Unassigned stereocentres0
SMILESCCCCC(=O)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)C(=O)CO
InChIInChI=1S/C26H36O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h9,11,13,18-20,23,27,29H,4-8,10,12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/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 15180-00-4 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 15180-00-4 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

  • Prednival
  • Prednival [USAN]
  • prednisolone valerate
  • W 4869
  • UNII-3NJ3X78O0C
  • PREDNIVAL [MI]
  • EINECS 239-228-2
  • 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 17-valerate
  • PREDNISOLONE VALERATE [WHO-DD]

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