Echinocandin B

Basic Information

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CAS Number

54651-05-7

Molecular Formula

C52H81N7O16

Molecular Weight

1060.24 g/mol

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.37±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (8.9E-4 g/L) (25 ºC),

SMILES

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CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@H](CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)[C@H](O)C)C[C@@H](C2)O)[C@@H]([C@H](c1ccc(cc1)O)O)O)[C@H](O)C)C

InChI

InChI=1S/C52H81N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(65)53-35-26-37(64)48(71)57-50(73)42-43(66)29(2)27-59(42)52(75)40(31(4)61)55-49(72)41(45(68)44(67)32-21-23-33(62)24-22-32)56-47(70)36-25-34(63)28-58(36)51(74)39(30(3)60)54-46(35)69/h9-10,12-13,21-24,29-31,34-37,39-45,48,60-64,66-68,71H,5-8,11,14-20,25-28H2,1-4H3,(H,53,65)(H,54,69)(H,55,72)(H,56,70)(H,57,73)/b10-9-,13-12-/t29-,30+,31+,34+,35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,48+/m0/s1

InChIKey

FAUOJMHVEYMQQG-HVYQDZECSA-N

LogP

-1.3303999999999916

Topological Polar Surface Area

368.19000000000005 Å²

Hydrogen Bond Donor/Acceptor

14 / 23

Complexity

1940

Synonyms & References

English

Echinocandin B
1H-Dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosine, cyclic peptide deriv.
A 30912 factor A
Antibiotic A 22082
CNW0ZW8ZTQ
A 30912A
Antibiotic SL 7810F
Antibiotic A 30912A

MDL Number

MFCD03265632

FAQ

What regulatory guidelines apply to Echinocandin B (CAS: 54651-05-7)?

Echinocandin B (CAS: 54651-05-7) is subject to various regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA requirements for chemical substances used in the United States. Manufacturers and distributors must comply with these regulations for safety data sheets, labeling, and environmental management.

Are there alternatives to Echinocandin B in synthesis?

Yes, there are alternatives to Echinocandin B in synthesis. Commonly used analogs include echinocandins such as caspofungin and micafungin. Isomers and alternative reagents like β-D-glucopyranosyl isomers can also be utilized. These alternatives offer similar fungicidal properties and can be chosen based on specific synthetic requirements and cost considerations.

What is the market or research trend for Echinocandin B (CAS: 54651-05-7)?

The market for Echinocandin B (CAS: 54651-05-7) is driven by ongoing research in antifungal drug development. Recent trends indicate a focus on improving efficacy, reducing side effects, and developing new formulations. The increasing global prevalence of fungal infections is also boosting demand. Research is exploring the potential of Echinocandin B as a therapeutic agent in various clinical settings.

How should waste containing Echinocandin B (CAS: 54651-05-7) be handled?

Waste containing Echinocandin B (CAS: 54651-05-7) should be collected in appropriate containers and stored separately to prevent contamination. Incineration is a common method for disposal, while professional waste disposal services can ensure compliance with environmental regulations. Proper labeling, documentation, and adherence to local and national disposal guidelines are essential to manage waste safely and responsibly.