C50H80N8O17
1065.2 g/mol
APIDanger
Pneumocandin B0
CAS135575-42-7
Category
API
Compound Class
Peptide
Primary Use
Pharmaceutical Raw Material
Pneumocandin B0 is an active pharmaceutical ingredient isolated from the fungus Zalerion arboricola. It is a large, complex macrocyclic compound with multiple hydroxyl and amide groups, featuring significant molecular flexibility.
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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CAS 135575-42-7
Related Compounds
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Referencesame scaffold
FR 901379
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Safety Reference
Danger
H315Causes skin irritation
H317May cause an allergic skin reaction
H318Causes serious eye damage
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335May cause respiratory irritation
H400Very toxic to aquatic life
Identifiers
IUPAC Name
(10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-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
InChIKey
DQXPFAADCTZLNL-FXDJFZINSA-N
SMILES
CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CC(=O)N)O)O)O)O
Synonyms (8)
- L-688,786
- Pneumocandin B0
- Pneumocandin Bo
- Pneumocardin B(0)