loading...| Preferred Name |
anidulafungin |
|
| Synonyms |
N-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-4''-(pentyloxy)-1,1':4',1''-terphenyl-4-carboxamide anidulafungin anidulafunginum anidulafungina anidulafungine Eraxis |
|
| Definitions |
A semisynthetic echinocandin anti-fungal drug. It is active against Aspergillus and Candida species and is used for the treatment of invasive candidiasis. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_55346 |
|
| charge |
0 |
|
| chemical effective in vitro against virus | ||
| chemical inhibits protein | ||
| database_cross_reference |
PMID:17316149 DrugBank:DB00362 PMID:19072176 PMID:19877741 PMID:19877742 PMID:19877740 Beilstein:7408417 PMID:24165173 PMID:19877739 PMID:19113794 Wikipedia:Anidulafungin PMID:15482216 PMID:25473029 Reaxys:7408417 CAS:166663-25-8 KEGG:D03211 PMID:24955796 PMID:16770294 |
|
| definition source |
https://www.drugbank.ca/drugs/DB00362 PMID: 32366720 |
|
| formula |
C58H73N7O17 |
|
| has exact synonym |
N-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-4''-(pentyloxy)-1,1':4',1''-terphenyl-4-carboxamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
anidulafungin anidulafunginum anidulafungina anidulafungine Eraxis |
|
| id |
CHEBI:55346 |
|
| imported from | ||
| in subset | ||
| inchi |
InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1 |
|
| inchikey |
JHVAMHSQVVQIOT-MFAJLEFUSA-N |
|
| label |
anidulafungin |
|
| mass |
1140.23690 |
|
| monoisotopicmass |
1139.50629 |
|
| notation |
CHEBI:55346 |
|
| prefLabel |
anidulafungin |
|
| smiles |
CCCCCOc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O |
|
| textual definition |
A semisynthetic echinocandin anti-fungal drug. It is active against Aspergillus and Candida species and is used for the treatment of invasive candidiasis. |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_52898 http://purl.obolibrary.org/obo/CHEBI_72588 http://purl.obolibrary.org/obo/CHEBI_57248 |
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