Chemical identity

Levonorgestrel CRS (L0551000)

CAS 797-63-7 · C21H28O2

01Identity

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

Lazychem IDLC-18577
PubChem CID13109
NameLevonorgestrel CRS (L0551000)
CAS RN797-63-7
Molecular formulaC21H28O2
Molecular weight312.45 g/mol
IUPAC name(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
InChIKeyWWYNJERNGUHSAO-XUDSTZEESA-N

02Structure identifiers

2D structurePubChem CID 13109
2D structure: Levonorgestrel CRS (L0551000), CAS 797-63-7
Structure of Levonorgestrel CRS (L0551000) (CAS 797-63-7). LazyChem record. Source identity: PubChem CID 13109. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC21H28O2
InChIKeyWWYNJERNGUHSAO-XUDSTZEESA-N
Ring count4
Defined stereocentres6
Unassigned stereocentres0
SMILESCC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34
InChIInChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,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

3 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 797-63-7 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 797-63-7 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Levonorgestrel; Norgestrel

View API and impurity family

Other names

  • Levonorgestrel for System Suitability 1 CRS (Y0001431)
  • Levonorgestrel for system suitability 2 CRS (Y0001618)

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