Grundinformationen
- Standard-SMILES
CC(=O)O.CC(=O)O.CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O- InChIKey
OGUJBRYAAJYXQP-LLXMLGLCSA-N- Summenformel
- C56H96N10O19
- Durchschnittliche Molmasse
- 1.213,4 g/mol
Überblick
Caspofungin Acetate is the acetate salt of an antimycotic echinocandin lipopeptide, semisynthetically derived from a fermentation product of the fungus Glarea lozoyensis. Caspofungin inhibits 1,3-beta-glucan synthase, resulting in decreased synthesis of beta(1,3)-D-glucan (an essential component of the fungal cell wall), weakening of the fungal cell wall, and fungal cell wall rupture. This agent is active against Aspergillus and Candida species.
Namen und Bezeichner
- Bevorzugter Name
- Caspofungin Acetate
- IUPAC
- acetic acid;N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-21-(2-aminoethylamino)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
Namen und Synonyme
Caspofungin acetate179463-17-3caspofungin diacetateCHEBI:59900DTXSID60904590RefChem:56793DTXCID801333717VUW370O5QECancidasMFCD08141839Caspofungin Acetate (>90%)C56H96N10O19
Weitere Namen anzeigen
Caspofungin acetate (JAN/USAN)AC-27763D02501MK-0991 (Acetate);L-743872 (Acetate)SCHEMBL149293AKOS025401982FC16269Caspofungin acetate - Bio-X trade mark
Datenbank-Bezeichner
- CAS
179463-17-3- PubChem CID
- 6850808
- ChEMBL
CHEMBL5314378- EC Number
- 605-859-0
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 487 Ų
- H-Brücken-Donoren
- 18
- H-Brücken-Akzeptoren
- 22
- Frei drehbare Bindungen
- 23
- Schwere Atome
- 85
- Formalladung
- 0
- Komplexität
- 1.930
Experimentelle und physikochemische Eigenschaften
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H318 (93%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P203, P260, P263, P264, P264+P265, P270, P273, P280, P305+P354+P338, P317, P318, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesEye Dam. 1 (93%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Caspofungin acetate
Ambiguous-DILI-concern
7
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
Chemie und Industrie
Pharmakologische Informationen
FDA Pharmacological Classification
CASPOFUNGIN ACETATE
Lipopeptides [CS]; Echinocandin Antifungal [EPC]
MeSH Pharmacological Classification
Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Verwendung und Herstellung
UsesUse (kg) in USA (2002): 5
Zugehörige Reaktionen
4
Verknüpfte Notizen
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