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Chemical structure of Emodepside

GC33940

Emodepside

Also listed as Emodepside (Bay 44-4400)

Emodepside (Bay 44-4400) (PF 1022-221) is a cyclooctadepsipeptide with broad-spectrum anthelmintic activity

ChemicalCAS155030-63-0MW1119.39FormulaC60H90N6O14
CAS number
155030-63-0
Molecular weight
1119.39
Formula
C60H90N6O14
Solubility
DMSO ： ≥ 31 mg/mL (27·69 mM)
InChIKey
ZMQMTKVVAMWKNY-YSXLEBCMSA-N
Catalogue number
GC33940
Brand
GLPBIO
Computed properties PubChem CID 6918632 · XLogP 9 · TPSA 211 Ų · H-bond donors 0
XLogP
9
TPSA
211 Ų
H-bond donors
0
H-bond acceptors
16
Rotatable bonds
14
Heavy atoms
80

SMILES C[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC(C)C)C)CC2=CC=C(C=C2)N3CCOCC3)CC(C)C)C)C)CC(C)C)C)CC4=CC=C(C=C4)N5CCOCC5)CC(C)C)C

Computed descriptors from PubChem (CID 6918632), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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