(11beta)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 3,3-dimethylbutanoate | CAS No. 7681-14-3

(11beta)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 3,3-dimethylbutanoate

Basic Information

CAS Number

7681-14-3

Molecular Formula

C27H38O6

Molecular Weight

458.6 g/mol

AD

Basic Physical Properties

Melting Point

266-273°

CC12CC(C3C(C1CCC2(C(=O)COC(=O)CC(C)(C)C)O)CCC4=CC(=O)C=CC34C)O

InChI

InChI=1S/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1

InChIKey

HUMXXHTVHHLNRO-KAJVQRHHSA-N

LogP

3.5447000000000024

Topological Polar Surface Area

100.90000000000002 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

925

Synonyms & References

English

  • Prednisolone butyl acetete
  • pregna-1,4-diene-3,20-dione, 21-(3,3-dimethyl-1-oxobutoxy)-11,17-dihydroxy-, (11 beta)-
  • EINECS 231-661-5
  • CAS-7681-14-3
  • NS00037843
  • 1V7A1U282K
  • C08182
  • CHEMBL1200909
  • Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-((3,3-dimethyl-1-oxobutyl)oxy)-, (11beta)-
  • PREDNISOLONE TEBUTATE (USP IMPURITY)
  • DTXCID303505
  • codelcortone-TBA
  • PREDNISOLONE TEBUTATE [JAN]
  • AKOS040735344
  • Hydeltra-TBA
  • 7114-05-8
  • Hydeltra-T.B.A.
  • Prednisolone Butylacetate
  • [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3,3-dimethylbutanoate
  • Tox21_113662
  • EN300-19767697
  • PREDNISOLONE TEBUTATE [GREEN BOOK]
  • [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 3,3-dimethylbutanoate
  • Prednisolone tebutate (USP)
  • 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 21-(3,3-dimethylbutyrate)
  • CS-7134
  • PREDNISOLONE 21-TERT-BUTYLACETATE [MI]
  • Predalone T.B.A.
  • HY-U00098
  • NCGC00249886-01
  • PREGNA-1,4-DIENE-3,20-DIONE, 11,17-DIHYDROXY-21-((3,3-DIMETHYL-1-OXOBUTYL)OXY)-, (11.BETA.)-

MDL Number

MFCD00867455

FAQ

What regulatory guidelines apply to (11beta)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 3,3-dimethylbutanoate (CAS: 7681-14-3)?

This compound is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It is essential to comply with local and international regulations for the handling, storage, and disposal of this compound to ensure safety and environmental protection.

Are there alternatives to (11beta)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 3,3-dimethylbutanoate in synthesis?

In synthesis, alternatives to (11beta)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 3,3-dimethylbutanoate include using isomers or analogs such as 17α-hydroxyprogesterone. Common alternative reagents include other steroid precursors and synthetic intermediates, which can provide similar functionality.

What is the market or research trend for (11beta)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 3,3-dimethylbutanoate?

The market for (11beta)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 3,3-dimethylbutanoate shows increasing interest in its application in pharmaceuticals and research, particularly in hormone therapy and reproductive health studies. Emerging trends include the exploration of its potential in new drug formulations and personalized medicine.

How should waste containing (11beta)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 3,3-dimethylbutanoate (CAS: 7681-14-3) be handled?

Waste containing (11beta)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 3,3-dimethylbutanoate should be collected in suitable containers and stored in a secure, well-ventilated area. For disposal, it is recommended to use professional waste disposal services that comply with local regulations. Environmental precautions include proper incineration or other chemical reduction methods to ensure minimal environmental impact.

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