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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H26O3
Molecular Weight 374.4721
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRONE BENZOATE

SMILES

[H][C@@]12CCC(=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=HKUKRSLIEVXDMS-APDHKMKFSA-N
InChI=1S/C25H26O3/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/h2-6,8,10,15,20-22H,7,9,11-14H2,1H3/t20-,21-,22+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H26O3
Molecular Weight 374.4721
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Developmental and hormonal regulated gene expression of fibroblast growth factor 2 (FGF-2) and its receptors in porcine endometrium.
2004 Mar
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:57:24 GMT 2023
Edited
by admin
on Fri Dec 15 15:57:24 GMT 2023
Record UNII
O636LYL5W8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESTRONE BENZOATE
Common Name English
ESTRADIOL BENZOATE IMPURITY G [EP IMPURITY]
Common Name English
ESTRONE, BENZOATE
Common Name English
ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-(BENZOYLOXY)-
Systematic Name English
Code System Code Type Description
PUBCHEM
15818351
Created by admin on Fri Dec 15 15:57:24 GMT 2023 , Edited by admin on Fri Dec 15 15:57:24 GMT 2023
PRIMARY
WIKIPEDIA
Estrone benzoate
Created by admin on Fri Dec 15 15:57:24 GMT 2023 , Edited by admin on Fri Dec 15 15:57:24 GMT 2023
PRIMARY
CAS
2393-53-5
Created by admin on Fri Dec 15 15:57:24 GMT 2023 , Edited by admin on Fri Dec 15 15:57:24 GMT 2023
PRIMARY
FDA UNII
O636LYL5W8
Created by admin on Fri Dec 15 15:57:24 GMT 2023 , Edited by admin on Fri Dec 15 15:57:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID00946752
Created by admin on Fri Dec 15 15:57:24 GMT 2023 , Edited by admin on Fri Dec 15 15:57:24 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP