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Chemical structure of CI 1020

GC11797

CI 1020

Also known as 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]furan-2-one

endothelin-A receptor (ETA) antagonist

ChemicalCAS162256-50-0MW506.5FormulaC28H26O9
CAS number
162256-50-0
Molecular weight
506.5
Formula
C28H26O9
Solubility
＜25·32mg/ml in DMSO
InChIKey
PWIPORDFWDZCJG-UHFFFAOYSA-N
Catalogue number
GC11797
Brand
GLPBIO
Computed properties PubChem CID 9870830 · XLogP 4 · TPSA 102 Ų · H-bond donors 1
XLogP
4
TPSA
102 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
37

SMILES COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC(=C(C(=C5)OC)OC)OC)O

Computed descriptors from PubChem (CID 9870830), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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