Acolbifene Hydrochloride
(2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol;hydrochloride
Molecular Identity
Acolbifene Hydrochloride
(2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol;hydrochloride
PubChem CID: 155436
2D Structure
Properties
C29H32ClNO4
Molecular Formula
494.00
Molecular Weight
g/mol
493.2020
Exact Mass
Da
62.2
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
674
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OCCN4CCCCC4)C5=CC=C(C=C5)O.ClIsomeric SMILES
SMILES: CC1=C([C@@H](OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OCCN4CCCCC4)C5=CC=C(C=C5)O.ClSynonyms(20)
Acolbifene Hydrochloride252555-01-4ACOLBIFENE (hydrochloride)Acolbifene HClSCH57068.HClAcolbifene Hydrochloride [USAN]KXC7811DBYSCH57068 HCLSCH-57068 HYDROCHLORIDE2H-1-Benzopyran-7-ol, 3-(4-hydroxyphenyl)-4-methyl-2-(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride, (2S)-(2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol;hydrochlorideAcolbifene hydrochloride (USAN)(S)-3-(4-Hydroxyphenyl)-4-methyl-2-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-2H-chromen-7-ol hydrochlorideEM 652.HydrochlorideSCH57068 Hydrochloride
Data from PubChem (NCBI)
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