Chemical Compound

Caspofungin

CAS Registry Number 162808-62-0
Caspofungin chemical structure
Primary Record

Caspofungin

In stock
3,103 g
Purity
99.6 %
CAS
162808-62-0

Compound Identifiers & Properties

CAS
162808-62-0
PubChem CID
468682
SMILES
CCC(C)CC(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
Canonical SMILES
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

Names & Synonyms

  • Caspofungin
  • Cancidas
  • Caspofungin acetate
  • Cancidas (TM)
  • Caspofungin [INN]
  • CASPO
  • AC1LAHR5
  • SCHEMBL875543
  • CID468682
  • MK-0991
  • M991
  • PD118451
  • SC-47407
  • NS00001374
  • L-743872
  • L-743,872
  • 162808-62-0
  • (3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-21-(2-Aminoethylamino)-3-[3-amino-1(R)-hydroxypropyl]-6-[1(S),2(S)-dihydroxy-2-(4-hydroxyphenyl)ethyl]-18-(10,12-dimethyltetradecanamido)-11,20,25-trihydroxy-15-[1(R)-hydroxyethyl]-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0(9,13)]heptacosane-2,5,8,14,17,23-hexaone diacetate
  • 179463-17-3
  • CAS
  • N-[(2-aminoethylamino)-[(1R)-3-amino-1-hydroxy-propyl]-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-trihydroxy-[(1R)-1-hydroxyethyl]-hexaoxo-[?]yl]-10,12-dimethyl-tetradecanamide