ESTRADIOL ACETATE

Search structure
Trade Names:
Synonyms:
E3A
Status: Approved (2003)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: 5R97F5H93P
Parent Compound: ESTRADIOL

Structure
InChI Key FHXBMXJMKMWVRG-SLHNCBLASA-N
Smile CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
InChI
InChI=1S/C20H26O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H26O3
Molecular Weight 314.43
AlogP 3.83
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Estrogen receptor alpha agonist DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 101

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
29.96
Reproductive system and breast disorders
17.34
Vascular disorders
9.27
Nervous system disorders
6.87
Skin and subcutaneous tissue disorders
6.87
Injury, poisoning and procedural complications
6.74
Psychiatric disorders
5.49
Product issues
5.24
Gastrointestinal disorders
3.69

Cross References

Resources Reference
CAS NUMBER 4245-41-4
ChEBI 135981
ChEMBL CHEMBL1200430
DrugBank DB13952
DrugCentral 4497
EPA CompTox DTXSID7045867
FDA SRS 5R97F5H93P
PubChem 9818306
SureChEMBL SCHEMBL148561
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