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Chemical structure of YM158 free base

GC31980

YM158 free base

Also listed as YM158 free base (YM-57158)

YM158 free base (YM-57158) is a potent and selective LTD4 and TXA2 receptor antagonist with pA2 values of about 8·87 and 8·81, respectively

ChemicalCAS179102-65-9MW681.22FormulaC32H33ClN6O5S2
CAS number
179102-65-9
Molecular weight
681.22
Formula
C32H33ClN6O5S2
Solubility
Soluble in DMSO
InChIKey
ZEZUDOUQZAREDI-UHFFFAOYSA-N
Catalogue number
GC31980
Brand
GLPBIO
Computed properties PubChem CID 5312141 · XLogP 6.2 · TPSA 186 Ų · H-bond donors 2
XLogP
6.2
TPSA
186 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
14
Heavy atoms
46

SMILES CC(C)(C)C1=CSC(=N1)COC2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)CCCS(=O)(=O)C4=CC=C(C=C4)Cl)OCC5=NNN=N5

Computed descriptors from PubChem (CID 5312141), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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