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(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one | CAS No. 51372-29-3

(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one

Basic Information

Chemical_Structure_Of
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CAS Number

51372-29-3

Molecular Formula

C25H34O6

Molecular Weight

430.54 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ketones
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Surfactants Anionic Surfactants
Polymers and Plastics Thermoplastics Polyolefins
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

194-199°C

SMILES

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CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C

InChI

InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1

InChIKey

VOVIALXJUBGFJZ-VXKMTNQYSA-N

LogP

2.7168000000000014

Topological Polar Surface Area

93.06000000000002 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

862

Synonyms & References

English

  • 51372-29-3
  • (1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
  • CHEBI:181323
  • R-Budesonide
  • AKOS025311202
  • (4aR,4bS,5S,6aS,6bS,8R,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
  • 8W5
  • Pregna-1,4-diene-3,20-dione,16,17-[(1R)-butylidenebis(oxy)]-11,21-dihydroxy-, (11b,16a)-
  • Q27254753
  • 51333-22-3
  • Dexbudesonide [INN]
  • S1286
  • UNII-2HI1006KPH
  • SCHEMBL4095
  • BCP9000060
  • CHEMBL2110662
  • NCGC00249124-02
  • AB01274756-01
  • DTXSID401017799
  • (1~{s},2~{s},4~{r},6~{r},8~{s},9~{s},11~{s},12~{s},13~{r})-9,13-Dimethyl-11-Oxidanyl-8-(2-Oxidanylethanoyl)-6-Propyl-5,7-Dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-Dien-16-One
  • BUDESONIDE (11beta,16alpha(R))
  • 16alpha(R),17-(Butylidenebis(oxy))-11beta,21-dihydroxypregna-1,4-diene-3,20-dione
  • CCG-269012
  • PREGNA-1,4-DIENE-3,20-DIONE, 16,17-BUTYLIDENEBIS(OXY)-11,21-DIHYDROXY-, (11.BETA.16.ALPHA.(R))
  • (22R)-Budesonide
  • EINECS 257-161-7
  • (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
  • 2HI1006KPH
  • (R)-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXYPREGNA-1,4-DIENE-3,20-DIONE 16,17-ACETAL WITH BUTYRALDEHYDE
  • (R)-11beta,16alpha,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione 16,17-acetal with butyraldehyde
  • DEXBUDESONIDE [WHO-DD]

MDL Number

MFCD00870255

Customs Code

2914509090

FAQ

What regulatory guidelines apply to (1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one (CAS: 51372-29-3)?
The compound (1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one (CAS: 51372-29-3) is subject to regulatory guidelines such as the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which includes criteria for classification and labeling, as well as the European Union's REACH regulations for chemical substance registration. Additional guidelines may include FDA and EPA regulations for specific applications and uses in the United States.

Are there alternatives to (1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one (CAS: 51372-29-3) in synthesis?
Alternatives to (1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one (CAS: 51372-29-3) in synthesis include other cyclic ketones and aldehydes with similar functional groups. Isomers and analogs can be used as alternatives, and substituent variations can lead to different properties and applications. Common alternative reagents include acetic anhydride, propionic acid, and other ketone derivatives depending on the desired chemical transformation.

What is the market or research trend for (1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one (CAS: 51372-29-3)?
The market trend for (1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one (CAS: 51372-29-3) reflects a growing interest in specialized cyclic ketones for pharmaceutical and biotechnological applications. Research trends are focused on the development of novel chemical structures with improved pharmacological properties and the exploration of their potential in drug discovery and synthesis. Market demand is driven by increasing investments in biotech and pharmaceutical sectors, with a particular focus on custom synthesis and chemical intermediates.

How should waste containing (1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one (CAS: 51372-29-3) be handled?
Waste containing (1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one (CAS: 51372-29-3) should be handled by collecting it in appropriate containers and disposing of it through a professional waste disposal service. Environmental protection precautions include ensuring that waste is not released into the environment and that all handling and disposal comply with local, national, and international regulations. Incineration under controlled conditions or other professional waste disposal methods are recommended to ensure safe and effective waste management.

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(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one — HuBeiMoDe Chemical Co Ltd

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(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one — Shanghai Yuyeh Biotechnology Co., Ltd.

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(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one — HuBeiShiShun Biotechnology Co Ltd

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(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one — Shanghai Hanxiang Biotechnology Co., Ltd.

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HuBeiXinYuanShunYiYaoHuaGongYouXianGongSiXiaoShouGongSi

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(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one — HuBeiYongKuo Technology Co Ltd

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