ESTRADIOL CYPIONATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1979)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: 7E1DV054LO
Parent Compound: ESTRADIOL

Structure
InChI Key UOACKFBJUYNSLK-XRKIENNPSA-N
Smile C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1
InChI
InChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H36O3
Molecular Weight 396.57
AlogP 6.13
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 29.0

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
- - - - 82

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
22.88
Injury, poisoning and procedural complications
10.98
Musculoskeletal and connective tissue disorders
8.47
Nervous system disorders
8.47
Skin and subcutaneous tissue disorders
8.24
Respiratory, thoracic and mediastinal disorders
5.49
Vascular disorders
5.03
Psychiatric disorders
4.12
Infections and infestations
3.89
Reproductive system and breast disorders
3.89
Cardiac disorders
2.75
Investigations
2.75
Product issues
2.75
Gastrointestinal disorders
2.52

Cross References

Resources Reference
CAS NUMBER 313-06-4
ChEBI 34745
ChEMBL CHEMBL1200973
DrugBank DB13954
DrugCentral 1059
EPA CompTox DTXSID4022999
FDA SRS 7E1DV054LO
KEGG C14640
PubChem 9403
SureChEMBL SCHEMBL41551
ZINC ZINC000003876078
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