Chemical identity

2-Methoxy-17α-ethynyl Estradiol

CAS 22415-44-7 · C21H26O3

01Identity

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

Lazychem IDLC-02018
PubChem CID68572
Name2-Methoxy-17α-ethynyl Estradiol
CAS RN22415-44-7
Molecular formulaC21H26O3
Molecular weight326.43 g/mol
IUPAC name(17α)-2-Methoxy-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol
InChIKeyNRGDXTWZJCEVEB-PVHGPHFFSA-N

02Structure identifiers

2D structurePubChem CID 68572
Two-dimensional chemical structure of 2-Methoxy-17α-ethynyl Estradiol, CAS 22415-44-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres5
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=C(C=C34)OC)O
InChINot listed
Formula from structureC21H26O3
Molecular weight from structure326.43 g/mol

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres0Structure unspecified
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 / RCSNO EXACT MATCH FOUNDCAS 22415-44-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 22415-44-7 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

Estradiol

View associated product family

Other names

  • 2-Methoxyethinyl estradiol
  • 2-Methoxy-Ethynyl Estradiol
  • 17a-Ethynyl-2-methoxyestradiol
  • 2-Methoxy-19-nor-17?-pregna-1, 3, 5(10)-trien-20-yne-3, 17-diol
  • 2-Methoxy-17alpha-ethynylestradiol
  • 22415-44-7
  • RefChem:909997
  • 2-Methoxy-17a-ethynyl Estradiol
  • (8R,9S,13S,14S,17R)-17-ethynyl-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
  • (17a)-2-Methoxy-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol
  • 2-Methoxy-19-nor-17a-pregna-1,3,5(10)-trien-20-yne-3,17-dioll
  • 2-Methoxy-17a-ethynylestradiol

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