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caspofungin acetate
The diacetate salt of caspofungin. It is used for the treatment of invasive candidiasis, and of aspergillosis in patients who are refractory to, or intolerant of, other therapy.


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03. Biological Effects of Specific Chemicals: antimicrobial agent [CHEBI:33281] > antifungal agent [CHEBI:35718]
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05. Industrial Uses: pharmaceutical [CHEBI:52217] > drug [CHEBI:23888] > antiinfective agent [CHEBI:35441]
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more general categories    information about this item
03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 antimicrobial agent [CHEBI:33281] (927) 
 antifungal agent [CHEBI:35718] (130) 
 caspofungin acetate [CHEBI:59900] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antiinfective agent [CHEBI:35441] (82) 
 caspofungin acetate [CHEBI:59900] (1)
08. Chemical Category 
08. Chemical Category
 polyatomic entity [CHEBI:36357] (18777) 
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 salt [CHEBI:24866] (931) 
 organic salt [CHEBI:24868] (775) 
 acetate salt [CHEBI:59230] (12) 
 caspofungin acetate [CHEBI:59900] (1)
ChEBI Compound Accession Identifier  [CHEBI:59900]
ChEBI Compound Description  The diacetate salt of caspofungin. It is used for the treatment of invasive candidiasis, and of aspergillosis in patients who are refractory to, or intolerant of, other therapy.
ChEBI Compound Identification Number  59900
ChEBI InChI Value  "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"
ChEBI InChIKey Value  OGUJBRYAAJYXQP-LLXMLGLCSA-N
ChEBI Compound Name  caspofungin acetate
ChEBI SMILES Value  CC(O)=O.CC(O)=O.[H][C@@]1(C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@]2([H])C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN)NC(=O)CCCCCCCCC(C)CC(C)CC
ChEBI Substance ID  99319525
ChEBI URL  ChEBI:59900
ChemSpider ID  NS
Ontomatica Chemical Accession Key (OnChAKey)  OGUJBRYAAJYXQP_LLXMLGLCSA_N_000_000000
PubChem Compound ID  6850808