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(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-1-(2-chloroacetyl)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one | CAS No. 25122-41-2

(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-1-(2-chloroacetyl)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

Basic Information

Chemical_Structure_Of
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CAS Number

25122-41-2

Molecular Formula

C22H28ClFO4

Molecular Weight

410.91 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ketones
Fine Chemicals Surfactants Anionic Surfactants
Fine Chemicals Specialty Chemicals UV Stabilizers
Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

220-222°C

SMILES

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CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)O)C)O)F)C

InChI

InChI=1S/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1

InChIKey

FCSHDIVRCWTZOX-DVTGEIKXSA-N

LogP

3.1422000000000017

Topological Polar Surface Area

74.6 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

808

Synonyms & References

English

  • DB11750
  • J-015820
  • ADN79D536H
  • Pregna-1,4-diene-3,20-dione, 21-chloro-9-fluoro-11,17-dihydroxy-16-methyl-, (11beta,16beta)-
  • 25122-41-2
  • AKOS025401451
  • Clobetasol impurity G (PhEur)
  • D07AD01
  • EN300-19844878
  • SCHEMBL3996
  • EINECS 246-633-8
  • NCGC00164580-01
  • (8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
  • Clobetasolum (INN-Latin)
  • 21-Chloro-9-fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione (Clobetasol)
  • CAS-25122-41-2
  • (1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-1-(2-chloroacetyl)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
  • Clobecort Amex (TN)
  • clobetasol
  • CHEBI:205919
  • clobetasolo
  • CLOBETASOL [VANDF]
  • CHEMBL1201362
  • UNII-ADN79D536H
  • Pregna-1,4-diene-3,20-dione, 21-chloro-9-fluoro-11,17-dihydroxy-16-methyl-, (11.beta.,16.beta.)-
  • Clobetasolum
  • Clobetasol [INN:BAN]
  • Clobetasolum [INN-Latin]
  • Tox21_113384
  • (1R,2S,10S,11S,13S,14R,15S,17S)-14-(2-chloroacetyl)-1-fluoro-14,17-dihydroxy-2,13,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one
  • DTXSID2048955

MDL Number

MFCD03695616

FAQ

What regulatory guidelines apply to (1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-1-(2-chloroacetyl)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one (CAS: 25122-41-2)?
This compound (CAS 25122-41-2) should comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous chemicals. In the European Union, it must also adhere to REACH regulations. The FDA and EPA may have additional requirements for handling and storage in specific applications. Proper safety data sheets (SDS) should be prepared and maintained for this compound.

Are there alternatives to (1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-1-(2-chloroacetyl)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one (CAS: 25122-41-2) in synthesis?
Synthetic alternatives to this compound can include isomers or analogs with similar functional groups. Common alternative reagents might include other chloroacetyl derivatives or fluoro-substituted phenanthrenes. The choice of alternative depends on the specific reaction conditions and desired product properties.

What is the market or research trend for (1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-1-(2-chloroacetyl)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one (CAS: 25122-41-2)?
Research involving this compound is likely focused on its unique chemical properties, such as its fluoro-substitution and acetyl group. Market trends may reflect growing interest in fluorinated compounds due to their potential applications in pharmaceuticals and materials science. Emerging research fields include the development of new synthetic methods and applications in drug discovery.

How should waste containing (1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-1-(2-chloroacetyl)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one (CAS: 25122-41-2) be handled?
Waste containing this compound should be collected and stored in appropriate containers to prevent spillage. For disposal, professional waste disposal services should be utilized. Environmental protection measures include ensuring the waste is appropriately labeled and transported according to local hazardous waste regulations. Proper incineration or other disposal methods must be used to prevent environmental contamination.

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Supplier Information

Shanghai Aladdin Bio-Technologies Co., Ltd.

CAS Number: 25122-41-2

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(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-1-(2-chloroacetyl)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one — HuBeiJiFeiYiYao Chemical Co Ltd

HuBeiJiFeiYiYao Chemical Co Ltd

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HuBeiJuSheng Technology Co Ltd

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HuBei Province ChuaShun Bio-Co., Ltd

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(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-1-(2-chloroacetyl)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one — Shandong Ta Hua Biotechnology Co., Ltd.

Shandong Ta Hua Biotechnology Co., Ltd.

CAS Number: 25122-41-2

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(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-1-(2-chloroacetyl)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one — HuBeiShiShun Biotechnology Co Ltd

HuBeiShiShun Biotechnology Co Ltd

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HuBeiChangXinCheng Chemical Co Ltd

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Hubei De Ao Hua Yan Yiyao Technology Co., Ltd.

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Hubei Rike Chemical Co., Ltd.

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(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-1-(2-chloroacetyl)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one — HuBeiYongKuo Technology Co Ltd

HuBeiYongKuo Technology Co Ltd

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HuBeiXinKangYaoHuaYouXianGongSiHuaXueYanJiuSuo

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XiAnMoChang Co Ltd

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(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-1-(2-chloroacetyl)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one — HuBeiBaiDuHuaXue Co Ltd

HuBeiBaiDuHuaXue Co Ltd

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HuBeiXinGongLi Chemical Co Ltd

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(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-1-(2-chloroacetyl)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one — Hubei Nona Technology Co., Ltd.

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