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Caspofungin Acetate

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Caspofungin Acetate / CAS : 179463-17-3

Appearance white to beige powder UN -
HS 29339900 DG Class -
Synonyms Mk0991; L-743,872; Caspofungin; Cancidas; Caspofungin Diacetate; Cancidas (Tn)
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Properties

Summary

Formula
C52H88N10O15
Molecular Mass
1093.31000
Exact Mass
1092.64000
PSA
412.03000
Logp
0.06150
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
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](CCN)O)O)NCCN)O.CC(=O)O.CC(=O)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Boiling Point
1408.1ºC
Appearance
white to beige powder
Acidity and Basicity
acidness

Export information

HS Code
29339900
Export Rebate
13%

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