Chemical identity

Pregna-4,9(11)-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-17-hydroxy

CAS 103497-66-1 · C25H32O7

01Identity

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

Lazychem IDLC-25960
PubChem CID15069881
NamePregna-4,9(11)-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-17-hydroxy
CAS RN103497-66-1
Molecular formulaC25H32O7
Molecular weight444.52 g/mol
IUPAC name4-(2-((8S,10S,13S,14S,17R)-17-Hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy)-4-oxobutanoic acid
InChIKeyQULBMLBPEHZKBU-VRPAFGSUSA-N

02Structure identifiers

2D structurePubChem CID 15069881
2D structure: Pregna-4,9(11)-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-17-hydroxy, CAS 103497-66-1
Structure of Pregna-4,9(11)-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-17-hydroxy (CAS 103497-66-1). LazyChem record. Source identity: PubChem CID 15069881. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC25H32O7
InChIKeyQULBMLBPEHZKBU-VRPAFGSUSA-N
Ring count4
Defined stereocentres5
Unassigned stereocentres0
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]3C2=CC[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC(=O)O)O)C
InChIInChI=1S/C25H32O7/c1-23-10-7-16(26)13-15(23)3-4-17-18(23)8-11-24(2)19(17)9-12-25(24,31)20(27)14-32-22(30)6-5-21(28)29/h8,13,17,19,31H,3-7,9-12,14H2,1-2H3,(H,28,29)/t17-,19+,23+,24+,25+/m1/s1

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres52D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before 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 103497-66-1 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 103497-66-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Hydrocortisone

View API and impurity family

Other names

  • Delta-9,11-Hydrocortisone Hemisuccinate Impurity
  • 17-Hydroxy-3,20-dioxopregna-4,9(11)-dien-21-yl succinate

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