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Chemical structure of Elacestrant S enantiomer

GC62379

Elacestrant S enantiomer

Also listed as Elacestrant (S enantiomer)

Elacestrant S enantiomer (RAD1901 S enantiomer) is an low activity enantiomer of elacestrant· Elacestrant (RAD1901) is a selective and orally available estrogen receptor (ERR) degrader with IC50 values of 48 and 870 nM for ERα and ERβ, respectively

ChemicalCAS2309762-29-4MW458.63FormulaC30H38N2O2
CAS number
2309762-29-4
Molecular weight
458.63
Formula
C30H38N2O2
InChIKey
SIFNOOUKXBRGGB-SANMLTNESA-N
Catalogue number
GC62379
Brand
GLPBIO
Computed properties PubChem CID 101364838 · XLogP 6.3 · TPSA 44.7 Ų · H-bond donors 2
XLogP
6.3
TPSA
44.7 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
34

SMILES CCNCCC1=CC=C(C=C1)CN(CC)C2=C(C=CC(=C2)OC)[C@H]3CCC4=C(C3)C=CC(=C4)O

Computed descriptors from PubChem (CID 101364838), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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