Chemical identity

Levonorgestrel EP Impurity B

CAS 19914-67-1 · C21H28O2

01Identity

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

Lazychem IDLC-18580
PubChem CID29979902
NameLevonorgestrel EP Impurity B
CAS RN19914-67-1
Molecular formulaC21H28O2
Molecular weight312.45 g/mol
IUPAC name13-Ethyl-17-hydroxy-18,19-dinor-17α-pregn-5(10)-en-20-yn-3-one OR (8R,9S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-4,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one.
InChIKeyQCMLVDXPKCBMFQ-MJCUULBUSA-N

02Structure identifiers

2D structurePubChem CID 29979902
2D structure: Levonorgestrel EP Impurity B, CAS 19914-67-1
Structure of Levonorgestrel EP Impurity B (CAS 19914-67-1). LazyChem record. Source identity: PubChem CID 29979902. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC21H28O2
InChIKeyQCMLVDXPKCBMFQ-MJCUULBUSA-N
Ring count4
Defined stereocentres5
Unassigned stereocentres0
SMILESCC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CCC(=O)C4
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/h2,17-19,23H,3,5-13H2,1H3/t17-,18-,19+,20+,21+/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 19914-67-1 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 19914-67-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Levonorgestrel

View API and impurity family

Other names

  • (8R,9S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-4,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
  • N.A

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