Chemical identity

Cyproterone Acetate EP Impurity I / Delmadinone Acetate / Chlormadinone Acetate EP Impurity D / Δ1-Chlormadinone Acetate ( Free Base )

CAS 13698-49-2 · C23H27ClO4

01Identity

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

Lazychem IDLC-11649
PubChem CID10135765
NameCyproterone Acetate EP Impurity I / Delmadinone Acetate / Chlormadinone Acetate EP Impurity D / Δ1-Chlormadinone Acetate ( Free Base )
CAS RN13698-49-2
Molecular formulaC23H27ClO4
Molecular weight402.92 g/mol
IUPAC name6-chloro-3,20-dioxopregna-1,4,6-trien-17-yl acetate
InChIKeyCGBCCZZJVKUAMX-DFXBJWIESA-N

02Structure identifiers

2D structurePubChem CID 10135765
Two-dimensional chemical structure of Cyproterone Acetate EP Impurity I / Delmadinone Acetate / Chlormadinone Acetate EP Impurity D / Δ1-Chlormadinone Acetate ( Free Base ), CAS 13698-49-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 6 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres6
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C=C[C@]34C)Cl)C)OC(=O)C
InChINot listed
Formula from structureC23H27ClO4
Molecular weight from structure402.92 g/mol

03Stereochemistry

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

Defined centres6Structure assigned
Unassigned centres0Structure unspecified
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 / RCSNO EXACT MATCH FOUNDCAS 13698-49-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 13698-49-2 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Cyproterone Acetate; Chlormadinone Acetate

View API and impurity family

Other names

  • Cyproterone Acetate EP Impurity I
  • Delmadinone Acetate
  • 17-(Acetyloxy)-6-chloropregna-1,4,6-triene-3,20-dione
  • Pregna-1,4,6-triene-3,20-dione, 6-chloro-17-hydroxy-, acetate
  • 13698-49-2
  • RS-1301
  • 92833M0LD9
  • Pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-
  • DTXSID60160018
  • RefChem:585672
  • DTXCID2082509
  • 237-219-8

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