Chemical identity

Chlormadinone Acetate EP Impurity J

CAS 1961-77-9 · C21H27ClO3

01Identity

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

Lazychem IDLC-10437
PubChem CID5284533
NameChlormadinone Acetate EP Impurity J
CAS RN1961-77-9
Molecular formulaC21H27ClO3
Molecular weight362.89 g/mol
IUPAC name6-chloro-17-hydroxypregna-4,6-diene-3,20-dione
InChIKeyVUHJZBBCZGVNDZ-TTYLFXKOSA-N

02Structure identifiers

2D structurePubChem CID 5284533
Two-dimensional chemical structure of Chlormadinone Acetate EP Impurity J, CAS 1961-77-9
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)CC[C@]34C)Cl)C)O
InChINot listed
Formula from structureC21H27ClO3
Molecular weight from structure362.89 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 1961-77-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1961-77-9 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

Chlormadinone

View API and impurity family

Other names

  • Chlormadinone
  • 1961-77-9
  • Chlormadinonum
  • Clormadinona
  • Clormadinone
  • DTXSID3022796
  • SDS4N642GG
  • DTXCID702796
  • 17-(HYDROXY)-6-CHLOROPREGNA-4,6-DIENE-3,20-DIONE
  • PREGNA-4,6-DIENE-3,20-DIONE, 17-(HYDROXY)-6-CHLORO-
  • RefChem:575661
  • G03DB06

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