3'-N-Demethyl-3'-N-((4-methylphenyl)sulfonyl)azithromycin

Basic Information

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CAS Number

612069-31-5

Molecular Formula

C44H76N2O14S

Molecular Weight

889.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)S(=O)(=O)C4=CC=C(C=C4)C)O)(C)O)C)C)C)O)(C)O

InChI

InChI=1S/C44H76N2O14S/c1-15-33-44(11,52)37(48)29(7)45(12)23-25(3)21-42(9,51)39(27(5)36(28(6)40(50)58-33)59-34-22-43(10,55-14)38(49)30(8)57-34)60-41-35(47)32(20-26(4)56-41)46(13)61(53,54)31-18-16-24(2)17-19-31/h16-19,25-30,32-39,41,47-49,51-52H,15,20-23H2,1-14H3/t25-,26-,27+,28-,29-,30+,32+,33-,34+,35-,36+,37-,38+,39-,41+,42-,43-,44-/m1/s1

InChIKey

PAZSFKCLSYSRGC-XOZZEHTCSA-N

LogP

2.968220000000007

Topological Polar Surface Area

214.21999999999997 Å²

Hydrogen Bond Donor/Acceptor

5 / 16

Complexity

1530

Synonyms & References

English

3’-N-Desmethyl-3’-N-tosyl Azithromycin
N-((3R,4S,6R)-2-(((2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)
N-((2S,4S,6R)-2-(((2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl)oxy)-3-hydroxy-6-methyltetrahydro-2H-pyran-4-yl)-N,4-dimethylbenzenesulfonamide
UNII-34G5B9N3QS
DTXSID60210128
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl -alpha-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-[methyl[(4-methylphenyl)sulfonyl]amino]-beta-D-xylo-hexopyranosyl]oxy]-1-oxa
Azithromycin Impurity G
A899821
34G5B9N3QS
612069-31-5
3'-N-Demethyl-3'-N-((4-methylphenyl)sulfonyl)azithromycin
N-[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-N,4-dimethylbenzenesulfonamide
Q27256362
AZITHROMYCIN IMPURITY G [EP IMPURITY]
AT38117
3'-N-Desmethyl-3'-N-tosyl Azithromycin

MDL Number

MFCD26961148

FAQ

What regulatory guidelines apply to 3'-N-Demethyl-3'-N-((4-methylphenyl)sulfonyl)azithromycin (CAS: 612069-31-5)?

3'-N-Demethyl-3'-N-((4-methylphenyl)sulfonyl)azithromycin (CAS: 612069-31-5) is subject to various regulatory guidelines including REACH for European Union registration, FDA for pharmaceutical usage, and EPA for environmental protection. It is also regulated under GHS for classification and labeling of chemicals based on their physical and health hazards.

Are there alternatives to 3'-N-Demethyl-3'-N-((4-methylphenyl)sulfonyl)azithromycin (CAS: 612069-31-5) in synthesis?

Alternatives to 3'-N-Demethyl-3'-N-((4-methylphenyl)sulfonyl)azithromycin (CAS: 612069-31-5) include other azithromycin derivatives or related macrolides. Common reagents such as 4-methylphenylsulfonyl chloride can be used as a substitute for the specific sulfonyl group in synthesis.

What is the market or research trend for 3'-N-Demethyl-3'-N-((4-methylphenyl)sulfonyl)azithromycin (CAS: 612069-31-5)?

The market for 3'-N-Demethyl-3'-N-((4-methylphenyl)sulfonyl)azithromycin (CAS: 612069-31-5) is driven by ongoing research into its antimicrobial properties. Recent trends indicate increasing interest in developing new azithromycin analogs for enhanced efficacy and reduced resistance. Market demand is also linked to pharmaceutical advancements and regulatory approvals.

How should waste containing 3'-N-Demethyl-3'-N-((4-methylphenyl)sulfonyl)azithromycin (CAS: 612069-31-5) be handled?

Waste containing 3'-N-Demethyl-3'-N-((4-methylphenyl)sulfonyl)azithromycin (CAS: 612069-31-5) should be collected and disposed of according to local and international waste management regulations. Incineration is a common method, but professional waste disposal services or compliance with hazardous waste handling protocols should be followed to ensure environmental safety and regulatory compliance.