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N-[(1R,2R,6S,7S,8S,10R)-3,5-Dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide | CAS No. 816458-31-8

N-[(1R,2R,6S,7S,8S,10R)-3,5-Dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide

Basic Information

Chemical_Structure_Of
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CAS Number

816458-31-8

Molecular Formula

C19H15F3N2O3

Molecular Weight

376.33 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
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

Basic Physical Properties

Melting Point

194-195 ºC

Density

1.53

SMILES

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C1C2C1C3C=CC2C4C3C(=O)N(C4=O)NC(=O)C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C19H15F3N2O3/c20-19(21,22)9-3-1-8(2-4-9)16(25)23-24-17(26)14-10-5-6-11(13-7-12(10)13)15(14)18(24)27/h1-6,10-15H,7H2,(H,23,25)/t10-,11+,12+,13-,14-,15+

InChIKey

CSKDFZIMJXRJGH-VWLPUNTISA-N

LogP

2.4033000000000007

Topological Polar Surface Area

66.48 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

705

Synonyms & References

English

  • Tecovirimat [USAN]
  • Q7692792
  • N-[(1s,2s,6r,7r,8r,10s)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide
  • ST-246ST-246
  • Arestvyr;IGA-246;T-246
  • BDBM50577060
  • DTXSID101026474
  • UNII-F925RR824R
  • ST 246
  • SIGA-246
  • Benzamide, N-((3aR,4R,4aR,5aS,6S,6aS)-3,3a,4,4a,5,5a,6,6a-octahydro-1,3-dioxo-4,6-ethenocycloprop(f)isoindol-2(1H)-yl)-4-(trifluoromethyl)-, rel-
  • SIGA 246
  • ST-246
  • CSKDFZIMJXRJGH-VWLPUNTISA-N
  • SCHEMBL404743
  • N-(3,5-Dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-4-(trifluoromethyl)benzamide
  • NS00072152
  • N-[(1R,2R,6S,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide
  • J05AX24
  • N-(dioxo[?]yl)-4-(trifluoromethyl)benzamide
  • TECOVIRIMAT [ORANGE BOOK]
  • 4-trifluoromethyl-N-(3,3a,4,4a,5,5a,6,6a-octahydro-1,3-dioxo-4,6-ethenocycloprop(f)isoindol-2(1H)-yl)-benzamide
  • EX-A4340
  • CS-3464
  • AKOS030260536
  • Benzamide, N-[(3aR,4R,4aR,5aS,6S,6aS)-3,3a,4,4a,5,5a,6,6a-octahydro-1,3-dioxo-4,6-ethenocycloprop[f]isoindol-2(1H)-yl]-4-(trifluoromethyl)-, rel-
  • TECOVIRIMAT [INN]
  • DB12020
  • N-((3aR,4R,4aR,5aS,6S,6aS)-1,3-Dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa(f)isoindol-2(1H)-yl)-4-(trifluoromethyl)benzamide
  • tecovirimatum
  • N-[(3aR,4R,4aR,5aS,6S,6aS)-1,3-Dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl]-4-(trifluoromethyl)benzamide

MDL Number

MFCD11973644

FAQ

What regulatory guidelines apply to N-[(1R,2R,6S,7S,8S,10R)-3,5-Dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide (CAS: 816458-31-8)?
The compound N-[(1R,2R,6S,7S,8S,10R)-3,5-Dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide (CAS: 816458-31-8) falls under the scope of several regulatory guidelines. It is subject to the REACH regulations in the European Union, which require documentation of its potential environmental, health, and safety impacts. Additionally, it must comply with the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for proper hazard communication. In the United States, it is regulated by the EPA and FDA for environmental and pharmaceutical applications, respectively. Compliance with these guidelines is essential for safe handling and use.

Are there alternatives to N-[(1R,2R,6S,7S,8S,10R)-3,5-Dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide (CAS: 816458-31-8) in synthesis?
Several alternatives to N-[(1R,2R,6S,7S,8S,10R)-3,5-Dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide (CAS: 816458-31-8) exist in synthesis. For example, related compounds such as trifluoromethylated benzamides with different substituents can be used as effective alternatives. Additionally, analogous compounds with similar structural features, such as other azatetracyclic benzamides, can serve as viable options. Care should be taken to ensure that these alternatives meet the necessary regulatory and safety requirements.

What is the market or research trend for N-[(1R,2R,6S,7S,8S,10R)-3,5-Dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide (CAS: 816458-31-8)?
The market and research trends for N-[(1R,2R,6S,7S,8S,10R)-3,5-Dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide (CAS: 816458-31-8) are currently focused on its potential applications in pharmaceutical and chemical research. There is a growing interest in its use as an intermediate in the synthesis of complex organic molecules, particularly in the development of new drugs. Additionally, there is a trend towards exploring the catalytic properties and reactivity of this compound in various synthetic pathways. The demand for this compound is expected to increase as more applications are discovered and validated.

How should waste containing N-[(1R,2R,6S,7S,8S,10R)-3,5-Dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide (CAS: 816458-31-8) be handled?
Waste containing N-[(1R,2R,6S,7S,8S,10R)-3,5-Dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide (CAS: 816458-31-8) should be handled according to the specific regulations of the country or region. Generally, such waste should be collected in sealed, labeled containers and disposed of through a licensed hazardous waste facility. The waste should be neutralized or treated to reduce its toxicity before disposal. Environmental protection measures include ensuring proper ventilation and the use of personal protective equipment. It is crucial to follow local and international waste disposal guidelines to prevent environmental contamination and ensure safety.

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Supplier Information

HuBeiXinKangYiYao Chemical Co Ltd

CAS Number: 816458-31-8

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N-[(1R,2R,6S,7S,8S,10R)-3,5-Dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide — HuBeiMoDe Chemical Co Ltd

HuBeiMoDe Chemical Co Ltd

CAS Number: 816458-31-8

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HuBeiHengLuYuan Technology Co Ltd

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Chengdu Dalao Sanling Biotechnology Co., Ltd.

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HuBeiXinGongLi Chemical Co Ltd

CAS Number: 816458-31-8

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N-[(1R,2R,6S,7S,8S,10R)-3,5-Dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide — HuBeiJiFeiYiYao Chemical Co Ltd

HuBeiJiFeiYiYao Chemical Co Ltd

CAS Number: 816458-31-8

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N-[(1R,2R,6S,7S,8S,10R)-3,5-Dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide — ShenZhenAiTaHuaXue Co Ltd

ShenZhenAiTaHuaXue Co Ltd

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Chemvon Biotechnology Co., Ltd

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HuBeiJuSheng Technology Co Ltd

CAS Number: 816458-31-8

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N-[(1R,2R,6S,7S,8S,10R)-3,5-Dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide — Jin Jinle (Hunan) Chemical Co., Ltd.

Jin Jinle (Hunan) Chemical Co., Ltd.

CAS Number: 816458-31-8

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N-[(1R,2R,6S,7S,8S,10R)-3,5-Dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide — HuBeiAnAo Biotechnology Co Ltd

HuBeiAnAo Biotechnology Co Ltd

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ShangHaiYuDiaoHuaXueJiShu Co Ltd

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HuBeiXinKangYaoHuaYouXianGongSiHuaXueYanJiuSuo

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ChangZhouGeJing Chemical Co Ltd

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N-[(1R,2R,6S,7S,8S,10R)-3,5-Dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide — HuBeiBaiDuHuaXue Co Ltd

HuBeiBaiDuHuaXue Co Ltd

CAS Number: 816458-31-8

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