U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H25F3O2
Molecular Weight 366.4172
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-(TRIFLUOROVINYL)-17.BETA.-ESTRADIOL 3-METHYL ETHER

SMILES

[H][C@@]12CC[C@@](O)(C(F)=C(F)F)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(OC)C=C4

InChI

InChIKey=AWUGBSODAQALNP-JPDLMGPVSA-N
InChI=1S/C21H25F3O2/c1-20-9-7-15-14-6-4-13(26-2)11-12(14)3-5-16(15)17(20)8-10-21(20,25)18(22)19(23)24/h4,6,11,15-17,25H,3,5,7-10H2,1-2H3/t15-,16-,17+,20+,21-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
17-(TRIFLUOROVINYL)-17.BETA.-ESTRADIOL 3-METHYL ETHER
Systematic Name English
19-NORPREGNA-1,3,5(10),20-TETRAEN-17-OL, 20,21,21-TRIFLUORO-3-METHOXY-, (17.ALPHA.)-
Systematic Name English
NSC-73865
Code English
Code System Code Type Description
NSC
73865
Created by admin on Fri Dec 15 15:05:35 GMT 2023 , Edited by admin on Fri Dec 15 15:05:35 GMT 2023
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PUBCHEM
252291
Created by admin on Fri Dec 15 15:05:35 GMT 2023 , Edited by admin on Fri Dec 15 15:05:35 GMT 2023
PRIMARY
CAS
5210-10-6
Created by admin on Fri Dec 15 15:05:35 GMT 2023 , Edited by admin on Fri Dec 15 15:05:35 GMT 2023
PRIMARY
FDA UNII
MJE9W86W64
Created by admin on Fri Dec 15 15:05:35 GMT 2023 , Edited by admin on Fri Dec 15 15:05:35 GMT 2023
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