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Chemical structure of rac-Acolbifene

GC61488

rac-Acolbifene

Also listed as (Rac)-Acolbifene

(Rac)-Acolbifene (EM-343; (Rac)-EM-652) is the racemic form of EM652 (estrogen receptor?antagonist), has anti-estrogenic and estrogenic activities· (Rac)-Acolbifene (EM-343; (Rac)-EM-652) contains a piperidine ring, shows good pharmacological profile,relative binding affinity (RBA)=380

ChemicalCAS151533-34-5MW457.56FormulaC29H31NO4
CAS number
151533-34-5
Molecular weight
457.56
Formula
C29H31NO4
Solubility
DMSO: 100 mg/mL (218·55 mM)
InChIKey
DUYNJNWVGIWJRI-UHFFFAOYSA-N
Catalogue number
GC61488
Brand
GLPBIO
Computed properties PubChem CID 9804157 · XLogP 5.2 · TPSA 62.2 Ų · H-bond donors 2
XLogP
5.2
TPSA
62.2 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
34

SMILES CC1=C(C(OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OCCN4CCCCC4)C5=CC=C(C=C5)O

Computed descriptors from PubChem (CID 9804157), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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