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 ISOESTRADIOL 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-FCRIMTMASA-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
ISOESTRADIOL 3-BENZOATE
MI  
Common Name English
8-ISOESTRADIOL, 3-BENZOATE
Common Name English
(8.ALPHA.,17.BETA.)-ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 3-BENZOATE
Systematic Name English
ISOESTRADIOL 3-BENZOATE [MI]
Common Name English
8.ALPHA.-ESTRADIOL, 3-BENZOATE
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 3-BENZOATE, (8.ALPHA.,17.BETA.)-
Systematic Name English
Code System Code Type Description
MERCK INDEX
m6482
Created by admin on Sat Dec 16 10:03:02 GMT 2023 , Edited by admin on Sat Dec 16 10:03:02 GMT 2023
PRIMARY Merck Index
CAS
6011-90-1
Created by admin on Sat Dec 16 10:03:02 GMT 2023 , Edited by admin on Sat Dec 16 10:03:02 GMT 2023
PRIMARY
PUBCHEM
12313393
Created by admin on Sat Dec 16 10:03:02 GMT 2023 , Edited by admin on Sat Dec 16 10:03:02 GMT 2023
PRIMARY
FDA UNII
UBD6G1V336
Created by admin on Sat Dec 16 10:03:02 GMT 2023 , Edited by admin on Sat Dec 16 10:03:02 GMT 2023
PRIMARY