Desbutyrate Elagolix

Basic Information

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CAS Number

830346-50-4

Molecular Formula

C28H24F5N3O3

Molecular Weight

545.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)CC(C3=CC=CC=C3)N)C4=C(C(=CC=C4)OC)F

InChI

InChI=1S/C28H24F5N3O3/c1-16-24(18-10-6-13-23(39-2)25(18)30)26(37)36(15-22(34)17-8-4-3-5-9-17)27(38)35(16)14-19-20(28(31,32)33)11-7-12-21(19)29/h3-13,22H,14-15,34H2,1-2H3

InChIKey

AEOBYHAZFRJFPZ-UHFFFAOYSA-N

LogP

5.039320000000004

Topological Polar Surface Area

79.25 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

923

Synonyms & References

English

2,4(1H,3H)-Pyrimidinedione,3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-
2,4(1H,3H)-Pyrimidinedione,3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl
3-[(2R)-AMINO-2-PHENYLETHYL]-5-(2-FLUORO-3-METHOXYPHENYL)-1-[2-FLUORO-6-(TRIFLUOROMETHYL)BENZYL]-6-METHYL-2,4(1H,3H)-PY...
3-[(2R)-amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedionetrifluoroacetate
(R)-3-(2-Amino-2-phenylethyl)-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione
SY249984
3-(2-Amino-2-phenylethyl)-5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl
Desbutyrate Elagolix

MDL Number

MFCD31811619

FAQ

What regulatory guidelines apply to Desbutyrate Elagolix (CAS: 830346-50-4)?

Desbutyrate Elagolix (CAS: 830346-50-4) must comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous material classification. Additionally, it falls under the European Union's Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulation. For pharmaceutical compounds like Desbutyrate Elagolix, the Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) also have specific requirements regarding safety and environmental impact assessments.

Are there alternatives to Desbutyrate Elagolix (CAS: 830346-50-4) in synthesis?

There are several alternatives to Desbutyrate Elagolix (CAS: 830346-50-4) in synthesis, including isomers and analogs. Common alternatives include butyrate elagolix and other related derivatives. These alternatives often serve similar functions but with varying properties, which can be chosen based on specific synthesis requirements and desired outcomes.

What is the market or research trend for Desbutyrate Elagolix (CAS: 830346-50-4)?

The market for Desbutyrate Elagolix (CAS: 830346-50-4) is growing due to its applications in pharmaceutical research, particularly in hormone-related diseases. Research trends focus on understanding its pharmacological properties and safety profiles. Market demand is also influenced by regulatory approvals and clinical trial results, driving further investment in this compound.

How should waste containing Desbutyrate Elagolix (CAS: 830346-50-4) be handled?

Waste containing Desbutyrate Elagolix (CAS: 830346-50-4) should be collected in appropriate containers and handled according to local and international waste management regulations. Proper incineration or professional waste disposal services should be utilized to ensure environmental safety. It is crucial to follow all safety precautions to prevent contamination and ensure compliance with environmental protection standards.