Estradiol hemihydrateProduct ingredient for Estradiol
- Name
- Estradiol hemihydrate
- Drug Entry
- Estradiol
Estradiol is a naturally occurring hormone circulating endogenously in females. It is commercially available in several hormone therapy products for managing conditions associated with reduced estrogen, such as vulvovaginal atrophy and hot flashes. Some available forms of estradiol include oral tablets, injections, vaginal rings, transdermal patches, sprays, gels, and creams.27,28,29,30,31,32,33
When used for oral or IM administration, estradiol is commonly synthesized as a pro-drug ester (such as Estradiol acetate, Estradiol benzoate, Estradiol cypionate, Estradiol dienanthate, and Estradiol valerate). Because it has a low oral bioavailability on its own, estradiol is commonly formulated with an ester side-chain. Ethinylestradiol (EE) is a synthetic form of estradiol commonly used as the estrogenic component of most combination oral contraceptive pills (OCPs). Ethinyl estradiol is different from estradiol due to its higher biovailability and increased resistance to metabolism, rendering it more suitable for oral administration.
- Accession Number
- DBSALT001383
- Structure
Structure for Estradiol hemihydrate (DBSALT001383)
- Synonyms
- Not Available
- UNII
- CXY7B3Q98Z
- CAS Number
- 35380-71-3
- Weight
- Average: 562.791
Monoisotopic: 562.36582471 - Chemical Formula
- C36H50O5
- InChI Key
- ZVVGLAMWAQMPDR-WVEWYJOQSA-N
- InChI
- InChI=1S/2C18H24O2.H2O/c2*1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20;/h2*3,5,10,14-17,19-20H,2,4,6-9H2,1H3;1H2/t2*14-,15-,16+,17+,18+;/m11./s1
- IUPAC Name
- bis((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol) hydrate
- SMILES
- O.C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CC=C34)[C@@H]1CC[C@@H]2O.C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CC=C34)[C@@H]1CC[C@@H]2O
- External Links
- ChemSpider
- 135937
- Wikipedia
- Estradiol_(medication)
- Predicted Properties
Property Value Source Water Solubility 0.0213 mg/mL ALOGPS logP 3.57 ALOGPS logP 3.75 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 10.33 Chemaxon pKa (Strongest Basic) -0.88 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 40.46 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 79.9 m3·mol-1 Chemaxon Polarizability 31.99 Å3 Chemaxon Number of Rings 8 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon