Chemical identity

Ethinylestradiol EP Impurity A / 17β-Ethinylestradiol / 17-epi-Ethynyl Estradiol

CAS 4717-38-8 · C20H24O2

01Identity

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

Lazychem IDLC-14540
PubChem CID145760
NameEthinylestradiol EP Impurity A / 17β-Ethinylestradiol / 17-epi-Ethynyl Estradiol
CAS RN4717-38-8
Molecular formulaC20H24O2
Molecular weight296.40 g/mol
IUPAC name19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol
InChIKeyBFPYWIDHMRZLRN-SWBPCFCJSA-N

02Structure identifiers

2D structurePubChem CID 145760
2D structure: Ethinylestradiol EP Impurity A / 17β-Ethinylestradiol / 17-epi-Ethynyl Estradiol, CAS 4717-38-8
Structure of Ethinylestradiol EP Impurity A / 17β-Ethinylestradiol / 17-epi-Ethynyl Estradiol (CAS 4717-38-8). LazyChem record. Source identity: PubChem CID 145760. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC20H24O2
InChIKeyBFPYWIDHMRZLRN-SWBPCFCJSA-N
Ring count4
Defined stereocentres5
Unassigned stereocentres0
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C#C)O)CCC4=C3C=CC(=C4)O
InChIInChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20-/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 4717-38-8 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 4717-38-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Ethinylestradiol

View API and impurity family

Other names

  • 17beta-Ethinylestradiol
  • 17-epi-Ethynylestradiol
  • UNII-II522L1IMZ
  • (+)-17.BETA.-ETHYNYLESTRADIOL
  • 17.ALPHA.-ESTRADIOL, 17-ETHYNYL
  • ETHINYLESTRADIOL IMPURITY A [EP 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