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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H28O2
Molecular Weight 288.4244
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4-DIHYDROESTRADIOL 3-METHYL ETHER

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])CC(OC)=CC4

InChI

InChIKey=XFFZLECPCHQJIR-GFEQUFNTSA-N
InChI=1S/C19H28O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,15-18,20H,3,5-11H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H28O2
Molecular Weight 288.4244
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 Sat Dec 16 07:33:05 GMT 2023
Edited
by admin
on Sat Dec 16 07:33:05 GMT 2023
Record UNII
UC5Y491C32
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-DIHYDROESTRADIOL 3-METHYL ETHER
Common Name English
3-METHOXYESTRA-2,5(10)-DIEN-17BETA-OL
Systematic Name English
ESTRA-2,5(10)-DIEN-17-OL, 3-METHOXY-, (17.BETA.)-ESTRA-2,5(10)-DIEN-17.BETA.-OL, 3-METHOXY-
Common Name English
3-METHYLOXYESTR-2,5(10)-DIEN-17.BETA.-OL
Systematic Name English
3-METHOXYESTRA-2,5(10)-DIEN-17.BETA.-OL
Systematic Name English
NSC-67575
Code English
3-METHOXY-19-NORANDROSTA-2(3),5(10)-DIEN-17.BETA.-OL
Common Name English
1,4-DIHYDRO-3,17-ESTRADIOL 3-METHYL ETHER
Common Name English
Code System Code Type Description
NSC
67575
Created by admin on Sat Dec 16 07:33:05 GMT 2023 , Edited by admin on Sat Dec 16 07:33:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID60148816
Created by admin on Sat Dec 16 07:33:05 GMT 2023 , Edited by admin on Sat Dec 16 07:33:05 GMT 2023
PRIMARY
ECHA (EC/EINECS)
214-130-2
Created by admin on Sat Dec 16 07:33:05 GMT 2023 , Edited by admin on Sat Dec 16 07:33:05 GMT 2023
PRIMARY
PUBCHEM
101963
Created by admin on Sat Dec 16 07:33:05 GMT 2023 , Edited by admin on Sat Dec 16 07:33:05 GMT 2023
PRIMARY
FDA UNII
UC5Y491C32
Created by admin on Sat Dec 16 07:33:05 GMT 2023 , Edited by admin on Sat Dec 16 07:33:05 GMT 2023
PRIMARY
CAS
1091-93-6
Created by admin on Sat Dec 16 07:33:05 GMT 2023 , Edited by admin on Sat Dec 16 07:33:05 GMT 2023
PRIMARY