17.ALPHA.-CHLOROETHYNYLESTRADIOL 3-METHYL ETHER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H25ClO2
Molecular Weight	344.875
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 17.ALPHA.-CHLOROETHYNYLESTRADIOL 3-METHYL ETHER

Structure Search

SMILES

COC1=CC=C2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCl)[C@@H]3CCC2=C1

InChI

InChIKey=JABONLHKIKMUIS-CRSSMBPESA-N

InChI=1S/C21H25ClO2/c1-20-9-7-17-16-6-4-15(24-2)13-14(16)3-5-18(17)19(20)8-10-21(20,23)11-12-22/h4,6,13,17-19,23H,3,5,7-10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H25ClO2
Molecular Weight	344.875
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:36:59 GMT 2025` Edited by `admin` on `Tue Apr 01 19:36:59 GMT 2025`
Record UNII	34CT5K2DXD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

17.ALPHA.-CHLOROETHYNYLESTRADIOL 3-METHYL ETHER

Common Name

English

BDH-2398

Preferred Name

English

19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YN-17-OL, 21-CHLORO-3-METHOXY-

Systematic Name

English

NSC-64970

Code

English

19-NORPREGNA-1,3,5(10)-TRIEN-20-YN-17-OL, 21-CHLORO-3-METHOXY-, (17.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

248274