Chemical identity

17-Hydroxy-21-iodo-pregna-1,4-diene-3,11,20-trione

CAS 55786-16-8 · C21H25IO4

01Identity

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

Lazychem IDLC-04243
PubChem CID54203010
Name17-Hydroxy-21-iodo-pregna-1,4-diene-3,11,20-trione
CAS RN55786-16-8
Molecular formulaC21H25IO4
Molecular weight468.33 g/mol
IUPAC name(8S,9S,10R,13S,14S,17R)-17-Hydroxy-17-(2-iodoacetyl)-10,13-dimethyl-7,8,9,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene-3,11(6H)-dione
InChIKeyPQOILDZBBXYBOE-ZPOLXVRWSA-N

02Structure identifiers

2D structurePubChem CID 54203010
2D structure: 17-Hydroxy-21-iodo-pregna-1,4-diene-3,11,20-trione, CAS 55786-16-8
Structure of 17-Hydroxy-21-iodo-pregna-1,4-diene-3,11,20-trione (CAS 55786-16-8). LazyChem record. Source identity: PubChem CID 54203010. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC21H25IO4
InChIKeyPQOILDZBBXYBOE-ZPOLXVRWSA-N
Ring count4
Defined stereocentres6
Unassigned stereocentres0
SMILESC[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CI)O)CCC4=CC(=O)C=C[C@]34C
InChIInChI=1S/C21H25IO4/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres62D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before 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 55786-16-8 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 55786-16-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Prednisone

View API and impurity family

Other names

No synonyms are listed.

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