Chemical identity

Desogestrel EP Impurity A / Desogestrel Related Compound A / Desogestrel Δ3-Isomer

CAS 201360-82-9 · C22H30O

01Identity

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

Lazychem IDLC-12466
PubChem CID71587628
NameDesogestrel EP Impurity A / Desogestrel Related Compound A / Desogestrel Δ3-Isomer
CAS RN201360-82-9
Molecular formulaC22H30O
Molecular weight310.48 g/mol
IUPAC name13-ethyl-11-methylidene-18,19-dinor-5α,17α-pregn-3-en- 20-yn-17-ol
InChIKeyRSMGIILCLKIXNG-JASYKLOUSA-N

02Structure identifiers

2D structurePubChem CID 71587628
2D structure: Desogestrel EP Impurity A / Desogestrel Related Compound A / Desogestrel Δ3-Isomer, CAS 201360-82-9
Structure of Desogestrel EP Impurity A / Desogestrel Related Compound A / Desogestrel Δ3-Isomer (CAS 201360-82-9). LazyChem record. Source identity: PubChem CID 71587628. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC22H30O
InChIKeyRSMGIILCLKIXNG-JASYKLOUSA-N
Ring count4
Defined stereocentres7
Unassigned stereocentres0
SMILESCC[C@]12CC(=C)[C@@H]3[C@H]4CCC=C[C@@H]4CC[C@H]3[C@@H]1CC[C@]2(C#C)O
InChIInChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,6,8,16-20,23H,3-4,7,9-14H2,1H3/t16-,17+,18+,19+,20-,21+,22+/m1/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

2 records

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.

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 201360-82-9 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 201360-82-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Desogestrel

View API and impurity family

Other names

  • Desogestrel EP Impurity A
  • Desogestrel Related Compound A
  • Desogestrel ?3-Isomer
  • (5α,17α)-13-Ethyl-11-methylene-18,19-dinorpregn-3-en-20-yn-17-ol
  • desogestrel delta 3-isomer
  • UNII-GP962JHY3N
  • DESOGESTREL IMPURITY A
  • DESOGESTREL IMPURITY A [EP IMPURITY]
  • DESOGESTREL .DELTA.3-ISOMER [USP IMPURITY]

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