Caspofungin diacetate

Basic Information

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CAS Number

179463-17-3

Molecular Formula

C56H96N10O19

Molecular Weight

1213.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

Solubility

H2O: soluble15mg/mL (clear solution)

SMILES

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CC(=O)O.CC(=O)O.NCCN[C@H]1NC(=O)C2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@H](C[C@@H]1O)NC(=O)CCCCCCCCC(CC(CC)C)C)[C@H](O)C)C[C@@H](C2)O)[C@@H]([C@H](c1ccc(cc1)O)O)O)[C@@H](CCN)O

InChI

InChI=1S/C52H88N10O15.2C2H4O2/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72;2*1-2(3)4/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75);2*1H3,(H,3,4)/t28?,29?,30-,33-,34+,35+,36-,37+,38+,40+,41+,42+,43?,44+,45+,46+;;/m1../s1

InChIKey

OGUJBRYAAJYXQP-CPYUAZPCSA-N

LogP

-3.1301000000000108

Topological Polar Surface Area

486.63000000000005 Å²

Hydrogen Bond Donor/Acceptor

20 / 29

Synonyms & References

English

Cancidas
Caspofungin acetate
(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-21-(2-Aminoethylamino)-3-[3-amino-1(R)-hydroxypropyl]-6-[1(S),2(S)-dihydroxy-2-(4-hydroxyphenyl)ethyl]-18-(10,12-dimethyltetradecanamido)-11,20,25-trihydroxy-15-[1(R)-hydroxyethyl]-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0(9,13)]heptacosane-2,5,8,14,17,23-hexaone diacetate
Caspofungin
Caspofungin (acetate)
Gaspofungin
Caspofungin Diacetate
L 743872
L-743,872
L743873
LY231514 disodium
Mk0991
Pemetrexed Disodium
Casp ungin Acetate
Mk 0991
L-743872
L 743873
L 743,872
Caspofungin diacetate
(10R,12S)-N-((2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS)-20-((R)-3-amino-1-hydroxypropyl)-12-((2-aminoethyl)amino)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,15-trihydroxy-6-((R)-1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-10,12-dimethyltetradecanamide
acetic acid (1:2)

MDL Number

MFCD08141839

Customs Code

2933990090

FAQ

What is Caspofungin diacetate (CAS: 179463-17-3)?

Caspofungin diacetate (CAS: 179463-17-3) is an antifungal medication belonging to the echinocandin class. It has the chemical formula C21H38N4O10S2 and is characterized as a white to off-white powder. It works by inhibiting the synthesis of fungal cell walls, making it effective against infections like invasive candidiasis. Its diacetate form enhances solubility and bioavailability for pharmaceutical applications.

What are the main uses of Caspofungin diacetate (CAS: 179463-17-3)?

Caspofungin diacetate (CAS: 179463-17-3) is primarily used as an antifungal agent in pharmaceuticals, particularly for treating severe fungal infections such as candidemia and invasive aspergillosis. It is also employed in research for studying fungal biology and in veterinary medicine for animal health. Its broad-spectrum activity makes it a key compound in combating resistant fungal strains.

Is Caspofungin diacetate (CAS: 179463-17-3) safe?

Caspofungin diacetate (CAS: 179463-17-3) is generally safe when used as directed, but it requires proper handling to avoid adverse effects. Common side effects include infusion reactions, gastrointestinal discomfort, and hypersensitivity. Safety standards mandate its use under medical supervision, with protective measures like gloves and eye protection. It is approved by regulatory bodies such as the FDA and EMA for targeted therapeutic applications.

How should Caspofungin diacetate (CAS: 179463-17-3) be stored?

Caspofungin diacetate (CAS: 179463-17-3) should be stored in a cool, dry place at 20°C (68°F), with humidity levels below 60% and protected from light. It requires airtight containers to prevent moisture absorption and degradation. Proper storage ensures stability and maintains its efficacy for pharmaceutical and research purposes.