(6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-8b-Acetyl-7-hydroxy-6a,8a,10-trimethyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d]oxazol-4(2H)-one | CAS No. 13649-88-2

(6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-8b-Acetyl-7-hydroxy-6a,8a,10-trimethyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d]oxazol-4(2H)-one

Basic Information

CAS Number

13649-88-2

Molecular Formula

C23H29NO4

Molecular Weight

383.49 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

275-280 ºC

O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1C[C@@H]1[C@]2(N=C(O1)C)C(=O)C)C)C

InChI

InChI=1S/C23H29NO4/c1-12(25)23-19(28-13(2)24-23)10-17-16-6-5-14-9-15(26)7-8-21(14,3)20(16)18(27)11-22(17,23)4/h7-9,16-20,27H,5-6,10-11H2,1-4H3/t16-,17-,18-,19+,20+,21-,22-,23+/m0/s1

InChIKey

WQUXBQVUVGNOKK-AAZVSSJSSA-N

LogP

3.0200000000000014

Topological Polar Surface Area

75.96000000000001 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Synonyms & References

English

  • Deflazacort
  • 11b,21-Dihydroxy-2'-methyl-5'bH-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione 21-acetate
  • DEFLAZACORT INTERMEDIATE
  • (4AR,4BS,5S,6AS,9AR,10AS,10BS)-6B-ACETYL-5-HYDROXY-4A,6A,8-TRIMETHYL-4A,4B,5,6,6A,6B,9A,10,10A,10B,11,12-DODECAHYDRO-9-OXA-7-AZA-PENTALENO[2,1-A]PHENANTHREN-2-ONE
  • (4AR,4BS,5S,6AS,9AR,10AS,10BS)-6B-ACETYL-5-HYDROXY-4A,6A,8-TRIMETHYL-4A,4B,5,6,6A,6B,9A,10,10A,10B,11,12-DODECAHYDRO-9-...
  • 21-Deacetoxy Deflazacort
  • 11beta-Hydroxy-2'-methyl-5'betaH-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione
  • Desacetoxy Deflazacort
  • Deflazacort intermediates
  • Deflazacort Intermediate (D5)
  • (6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)
  • PREGNA-1,4-DIENE-11B-OL-17A,16A-D-2-METHYL-OXAZOLINE-3,20-DIONE
  • 11β-hydroxy-2'-Methyl-5'βH-Pregna-1,4-dieno[17,16-d]oxazole-3,20-dione
  • (6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-8b-acetyl-7-hydroxy-6a,8a,10-trimethyl-1,2,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-4H-naphtho[2',1':4,5]indeno[1,2-d]oxazol-4-one

MDL Number

MFCD09037388

Customs Code

2937290090

FAQ

What regulatory guidelines apply to (6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-8b-Acetyl-7-hydroxy-6a,8a,10-trimethyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d]oxazol-4(2H)-one (CAS: 13649-88-2)?

This compound is regulated under GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for health and environmental hazards. It is also subject to REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) in the EU, requiring suppliers to provide safety data sheets and register with ECHA. In the USA, the FDA and EPA may have specific requirements for its use and disposal, particularly if used in pharmaceutical or agricultural applications.

Are there alternatives to (6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-8b-Acetyl-7-hydroxy-6a,8a,10-trimethyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d]oxazol-4(2H)-one (CAS: 13649-88-2) in synthesis?

Several alternatives can be used in its synthesis, including isomers such as (6aS,6bR,7R,8aS,8bR,11aS,12aR,12bR)-8b-acetyl-7-hydroxy-6a,8a,10-trimethyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d]oxazol-4(2H)-one. Other reagents like acetyl chloride and hydroquinone can also be used as substitutes to achieve similar functionalities.

What is the market or research trend for (6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-8b-Acetyl-7-hydroxy-6a,8a,10-trimethyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d]oxazol-4(2H)-one (CAS: 13649-88-2)?

Research into this compound is ongoing, with a focus on its potential applications in medicinal chemistry and material science. Market trends indicate increasing interest in its use as a precursor for synthesizing complex organic molecules. Recent studies have explored its role in anti-inflammatory and anticancer therapies, suggesting future developments in pharmaceutical and biotech sectors.

How should waste containing (6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-8b-Acetyl-7-hydroxy-6a,8a,10-trimethyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d]oxazol-4(2H)-one (CAS: 13649-88-2) be handled?

Waste containing this compound should be collected in appropriate containers and neutralized if necessary. Incineration is a common disposal method, but professional waste disposal services should be used. Environmental protection precautions include ensuring no liquid waste is released into the environment and that all waste is handled in compliance with local regulations. Safety data sheets and appropriate PPE should be used during handling and disposal operations.

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