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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H28O3
Molecular Weight 376.488
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-ESTRADIOL 3-BENZOATE

SMILES

[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(OC(=O)C5=CC=CC=C5)C=C4

InChI

InChIKey=UYIFTLBWAOGQBI-ABMICEGHSA-N
InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23-,25+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
.ALPHA.-ESTRADIOL 3-BENZOATE
Common Name English
17.ALPHA.-ESTRADIOL, 3-BENZOATE
Common Name English
3-BENZOYLOXY-17.ALPHA.-HYDROXYOESTRA-1,3,5(10)-TRIENE
Common Name English
ESTRADIOL BENZOATE IMPURITY E [EP IMPURITY]
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 3-BENZOATE, (17.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
5767
Created by admin on Sat Dec 16 06:50:04 GMT 2023 , Edited by admin on Sat Dec 16 06:50:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID90858951
Created by admin on Sat Dec 16 06:50:04 GMT 2023 , Edited by admin on Sat Dec 16 06:50:04 GMT 2023
PRIMARY
CAS
6045-53-0
Created by admin on Sat Dec 16 06:50:04 GMT 2023 , Edited by admin on Sat Dec 16 06:50:04 GMT 2023
PRIMARY
FDA UNII
EB090UC9W9
Created by admin on Sat Dec 16 06:50:04 GMT 2023 , Edited by admin on Sat Dec 16 06:50:04 GMT 2023
PRIMARY
ECHA (EC/EINECS)
227-938-5
Created by admin on Sat Dec 16 06:50:04 GMT 2023 , Edited by admin on Sat Dec 16 06:50:04 GMT 2023
PRIMARY