Estradiol hemihydrate

Basic Information

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CAS Number

35380-71-3

Molecular Formula

C36H50O5

Molecular Weight

290.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

445.9°Cat760mmHg

Flash Point

209.6°C

SMILES

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CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O.CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O.O

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

InChIKey

ZVVGLAMWAQMPDR-WVEWYJOQSA-N

LogP

2.784500000000001

Topological Polar Surface Area

71.96000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 3

Complexity

382

Synonyms & References

English

(17beta)-ESTRA-1,3,5(10)-TRIENE-3,17-DIOL HEMIHYDRATE
Estradiol hemihydrate, European Pharmacopoeia (EP) Reference Standard
ESTRADIOL HEMIHYDRATE [MI]
Q27275885
Estradiol Hemihydrate (17beta-Estradiol Hemihydrate) 1.0 mg/ml in Acetonitrile (anhydrous substance)
A822763
Estra-1,3,5(10)-triene-3,17beta-diol hydrate (2:1)
UNII-CXY7B3Q98Z
beta-Estradiol semihydrate
(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol,hydrate
Estra-1,3,5(10)-triene-3,17-diol (17beta)-, hydrate (2:1)
SCHEMBL37532
MYFEMBREE COMPONENT ESTRADIOL HEMIHYDRATE
ESTRADIOL HEMIHYDRATE [EP MONOGRAPH]
AKOS015896880
beta-Estradiol hemihydrate
ESTRADIOL HEMIHYDRATE [WHO-DD]
AC-24744
ESTRADIOL HEMIHYDRATE
Estrasorb (TN)
DTXSID60858948
ESTRADIOL HEMIHYDRATE [ORANGE BOOK]
(17.BETA.)-ESTRA-1,3,5(10)-TRIENE-3,17-DIOL HEMIHYDRATE
Estradiol hemihydrate, British Pharmacopoeia (BP) Assay Standard
CXY7B3Q98Z
35380-71-3
ESTRADIOL HEMIHYDRATE (EP MONOGRAPH)
(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;hydrate
beta-Estradiol hemihydrate, VETRANAL(TM), analytical standard
ESTRADIOL HEMIHYDRATE COMPONENT OF MYFEMBREE
D07918

MDL Number

MFCD23102821

FAQ

What regulatory guidelines apply to Estradiol hemihydrate (CAS: 35380-71-3)?

Estradiol hemihydrate (CAS: 35380-71-3) is classified as an endocrine disruptor under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). It falls under REACH regulations in the European Union, requiring registration, evaluation, and authorization. In the United States, it is regulated by the FDA for pharmaceutical purposes and the EPA for environmental protection. Compliance with these regulations is essential for handling and manufacturing this compound.

Are there alternatives to Estradiol hemihydrate (CAS: 35380-71-3) in synthesis?

Estradiol hemihydrate (CAS: 35380-71-3) is often used in pharmaceutical and research applications. Alternatives include other forms of estradiol, such as estradiol benzoate or estradiol valerate. In synthesis, ethinyl estradiol is a common alternative due to its similar chemical structure and properties. These alternatives can be considered based on specific application requirements and regulatory compliance.

What is the market or research trend for Estradiol hemihydrate (CAS: 35380-71-3)?

The market for Estradiol hemihydrate (CAS: 35380-71-3) is driven by its use in hormone replacement therapy and as a research tool. Recent trends show increasing demand in pharmaceuticals and academic research, particularly in studies related to estrogen metabolism and hormonal imbalance. The global market is expected to grow due to the expanding elderly population and rising healthcare awareness.

How should waste containing Estradiol hemihydrate (CAS: 35380-71-3) be handled?

Waste containing Estradiol hemihydrate (CAS: 35380-71-3) should be managed according to hazardous waste regulations. Collect waste liquids in appropriate containers, ensuring they are labeled properly. For solid waste, follow local guidelines for disposal. Incineration or professional waste disposal services are recommended to ensure safe and environmentally friendly disposal. Always consult local regulations and safety protocols to handle waste effectively.