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(1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]sulfanyl}acetate | CAS No. 224452-66-8

(1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]sulfanyl}acetate

Basic Information

Chemical_Structure_Of
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CAS Number

224452-66-8

Molecular Formula

C30H47NO4S

Molecular Weight

517.78 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 Surfactants Anionic Surfactants
Polymers and Plastics Thermoplastics Polyolefins
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

128-131°C

Refractive Index

1.571

SMILES

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CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC4CC5CCC(C4)N5C)C

InChI

InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22-,24-,26+,27+,28-,29+,30+/m1/s1

InChIKey

STZYTFJPGGDRJD-NHUWBDDWSA-N

LogP

5.251300000000006

Topological Polar Surface Area

66.84 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

895

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • NSC-759885
  • RETAPAMULIN [INN]
  • MFCD11045316
  • CHEMBL1658
  • AKOS016008865
  • BRD-K33082088-001-03-3
  • Acetic acid, (((3-exo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl)thio)-, (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester
  • DB01256
  • CHEBI:166679
  • AKOS030485971
  • CS-0618
  • (3aS,4R,5S,6S,8R,9R,9aR,10R)-2-(exo-8-Methyl-8-azabicyclo[3.2.1]octan-3-ylsulfanyl)acetic acid 5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinylperhydro-3a,9-propanocyclopentacycloocten-8-yl ester
  • RETAPAMULIN [MART.]
  • Altargo
  • Retapamulin
  • s4056
  • NCGC00386248-01
  • (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propano-3aH-cyclopenta[8]annulen-8-yl [[(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]sulfanyl]acetate
  • RETAPAMULIN [VANDF]
  • EN300-7404368
  • RETAPAMULIN [WHO-DD]
  • 4MG6O8991R
  • HY-17010
  • (1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.0^{1,8}]tetradecan-6-yl 2-{[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl}acetate
  • (3aR,4R,5R,7S,8S,9R,9aS,12R)-8-Hydroxy-4,7,9,12-tetramethyl-5-((3-(((3-exo)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thio)prop-1-en-2-yl)oxy)-7-vinyloctahydro-4,9a-propanocyclopenta[8]annulen-3(3aH)-one
  • AB01566905_01
  • 224452-66-8
  • SCHEMBL365459
  • Rebapamulin
  • RETAPAMULIN [ORANGE BOOK]
  • GTPL11035

MDL Number

MFCD11045316

Customs Code

2933990090

FAQ

What regulatory guidelines apply to (1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]sulfanyl}acetate (CAS: 224452-66-8)?
The compound falls under the Chemicals of Very High Concern (vHCS) category under REACH regulations. It requires registration, authorization, and reporting under REACH. In the USA, it is regulated by the EPA under the Toxic Substances Control Act (TSCA). FDA may also regulate it for specific uses. Always check the latest regulatory guidelines and classifications.

Are there alternatives to (1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]sulfanyl}acetate (CAS: 224452-66-8) in synthesis?
Alternative reagents or analogs such as (1R,2R,3R,4R,6R,7R,8R,14R)-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]sulfanyl}acetate or other related compounds can be used. It is important to evaluate the compatibility and efficiency of these alternatives.

What is the market or research trend for (1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]sulfanyl}acetate (CAS: 224452-66-8)?
Research is focusing on the application of this compound in various fields such as pharmaceuticals and materials science. Market trends indicate increasing demand due to its unique properties. Emerging studies are exploring its potential in new drug development and advanced materials.

How should waste containing (1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]sulfanyl}acetate (CAS: 224452-66-8) be handled?
Waste should be collected in sealed, labeled containers and stored properly. Incineration or professional waste disposal services are recommended. Ensure all handling and disposal comply with local and international regulations to minimize environmental impact.

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(1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]sulfanyl}acetate — MedChemExpress LLC

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