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Chemical structure of Elacestrant S enantiomer dihydrochloride

GC60801

Elacestrant S enantiomer dihydrochloride

Also known as (6S)-6-[2-[ethyl-[[4-[2-(ethylamino)ethyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol;dihydrochloride

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

ChemicalCAS2309762-30-7MW531.56FormulaC30H40Cl2N2O2
CAS number
2309762-30-7
Molecular weight
531.56
Formula
C30H40Cl2N2O2
InChIKey
XGFHYCAZOCBCRQ-ROPHLPQBSA-N
Catalogue number
GC60801
Brand
GLPBIO
Computed properties PubChem CID 127020970 · TPSA 44.7 Ų · H-bond donors 4 · H-bond acceptors 4
TPSA
44.7 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
36

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

Computed descriptors from PubChem (CID 127020970), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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