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2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 3- (benzoylamino)-2-methylpropanoate | CAS No. 31002-79-6

2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 3- (benzoylamino)-2-methylpropanoate

Basic Information

Chemical_Structure_Of
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CAS Number

31002-79-6

Molecular Formula

C35H42FNO8

Molecular Weight

623.72 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 Esters
Basic Chemical Raw Materials Organic Chemicals Ethers
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

Melting Point

203-207°

Specific Rotation

D20 +96 ±3° (c = 1 in ethanol)

SMILES

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CC(CNC(=O)C1=CC=CC=C1)C(=O)OCC(=O)C23C(CC4C2(CC(C5(C4CCC6=CC(=O)C=CC65C)F)O)C)OC(O3)(C)C

InChI

InChI=1S/C35H42FNO8/c1-20(18-37-29(41)21-9-7-6-8-10-21)30(42)43-19-27(40)35-28(44-31(2,3)45-35)16-25-24-12-11-22-15-23(38)13-14-32(22,4)34(24,36)26(39)17-33(25,35)5/h6-10,13-15,20,24-26,28,39H,11-12,16-19H2,1-5H3,(H,37,41)/t20?,24-,25-,26-,28+,32-,33-,34-,35+/m0/s1

InChIKey

GUYPYYARYIIWJZ-CYEPYHPTSA-N

LogP

4.035800000000003

Topological Polar Surface Area

128.23 Ų

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

1340

Synonyms & References

English

  • 31002-79-6
  • Triamcinoloni benetonidum
  • CS-6543
  • TRIAMCINOLONE ACETONIDE 21-(BENZOYL-.BETA.-AMINOISOBUTYRATE)
  • Tibicorten
  • Q27272414
  • TRIAMCINOLONE BENETONIDE [WHO-DD]
  • CHEMBL2105798
  • 9-FLUORO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXYPREGNA-1,4-DIENE-3,20-DIONE CYCLIC 16,17-ACETAL WITH ACETONE 21-ESTER WITH N-BENZOYL-2-METHYL-.BETA.-ALANINE
  • DTXSID601026586
  • 9DXL8A82MI
  • Triamcinolone benetonide [INN]
  • TRIAMCINOLONE BENETONIDE [MI]
  • NS00049936
  • triamcinolone benetonide
  • Pregna-1,4-diene-3,20-dione,21-[3-(benzoylamino)-2-methyl-1-oxopropoxy]-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11b,16a)-
  • EINECS 250-427-3
  • Triamcinolona benetonido [INN-Spanish]
  • CHEBI:135852
  • AKOS040740449
  • Triamcinoloni benetonidum [INN-Latin]
  • W-106921
  • Triamcinolona benetonido
  • 9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with acetone 21-ester with N-benzoyl-2-methyl-beta-alanine
  • HY-U00043
  • UNII-9DXL8A82MI
  • [2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3-benzamido-2-methylpropanoate
  • SCHEMBL7149
  • Triamcinolone benetonide
  • Pregna-1,4-diene-3,20-dione,9-fluoro-11b,16a,17,21-tetrahydroxy-, cyclic 16,17-acetal withacetone, 21-ester with N-benzoyl-2-methyl-b-alanine (8CI)
  • TBI

FAQ

What regulatory guidelines apply to 2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 3-(benzoylamino)-2-methylpropanoate (CAS: 31002-79-6)?
This compound falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and is subject to classification as a hazardous substance. It must comply with the REACH (Registration, Evaluation, Authorisation, and Restriction of Chemicals) regulations, which include data reporting, registration, and authorization. Additionally, the FDA and EPA may have specific requirements related to its handling, storage, and disposal to ensure public and environmental safety.

Are there alternatives to 2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 3-(benzoylamino)-2-methylpropanoate (CAS: 31002-79-6) in synthesis?
There are several alternatives for this compound in synthesis, including using related fluoro-dioxolane derivatives or similar substituted naphthoindeno[1,2-d][1,3]dioxol compounds. Common alternatives include using different substituents such as chloro-, bromo-, or methoxy groups. These alternatives provide similar functional groups and can be used as starting materials or intermediates in the synthesis of related compounds.

What is the market or research trend for 2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 3-(benzoylamino)-2-methylpropanoate (CAS: 31002-79-6)?
The market trend for this compound is currently stable, with increasing research interest in its potential applications in pharmaceuticals and materials science. Recent studies have focused on its use as an intermediate in the synthesis of bioactive compounds and its properties as a ligand in coordination chemistry. The trend indicates a growing demand for this compound, driven by its unique structural features and its ability to form stable complexes with metal ions.

How should waste containing 2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 3-(benzoylamino)-2-methylpropanoate (CAS: 31002-79-6) be handled?
Waste containing this compound should be collected in a sealed, leak-proof container and stored in a well-ventilated area. It should be handled and disposed of according to the guidelines for hazardous waste. For disposal, it is recommended to incinerate or use a professional waste disposal service that adheres to environmental protection regulations. Proper protective equipment, such as gloves and goggles, should be worn when handling the compound to prevent exposure. Additionally, ensure that waste management practices comply with local, national, and international regulations to minimize environmental impact.

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Supplier Information

ShangHaiKaiSen Biotechnology Co Ltd

CAS Number: 31002-79-6

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2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 3- (benzoylamino)-2-methylpropanoate — Hubei Yangxin Pharmaceutical Technology Co., Ltd.

Hubei Yangxin Pharmaceutical Technology Co., Ltd.

CAS Number: 31002-79-6

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Shanghai Hansi Chemical Co., Ltd.

CAS Number: 31002-79-6

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HuBeiGuoYunFuRui Technology Co Ltd

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ShenZhenShiRuiJiTe Biotechnology Co Ltd

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ShangHaiMaiKeLinShengHuaKeJi Inc

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2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 3- (benzoylamino)-2-methylpropanoate — ShangHaiChuangSai Technology Co Ltd

ShangHaiChuangSai Technology Co Ltd

CAS Number: 31002-79-6

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2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 3- (benzoylamino)-2-methylpropanoate — ShenZhenAiTaHuaXue Co Ltd

ShenZhenAiTaHuaXue Co Ltd

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Shandong Junrui Pharmaceutical Technology Co., Ltd.

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Taizhou Pioneer Biopharmaceutical Co., Ltd.

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Molcan Corporation

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