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Chemical structure of Fiduxosin

GC30679

Fiduxosin

Also known as 5-[4-[(3aR,9bR)-9-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-12-phenyl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione

Fiduxosin is a potent α1-adrenoceptor antagonist, with Ki of 0·160 nM, 24·9 nM, and 0·920 nM for α1a-, α1b-, and α1d-adrenoceptors, respectively

ChemicalCAS208993-54-8MW555.65FormulaC30H29N5O4S
CAS number
208993-54-8
Molecular weight
555.65
Formula
C30H29N5O4S
Solubility
Soluble in DMSO
InChIKey
WDTAYDBPNYFWDR-WOJBJXKFSA-N
Catalogue number
GC30679
Brand
GLPBIO
Computed properties PubChem CID 172307 · XLogP 4.2 · TPSA 125 Ų · H-bond donors 1
XLogP
4.2
TPSA
125 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
40

SMILES COC1=CC=CC2=C1[C@@H]3CN(C[C@@H]3CO2)CCCCN4C(=O)C5=C(C6=NC(=CN=C6S5)C7=CC=CC=C7)NC4=O

Computed descriptors from PubChem (CID 172307), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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