Amcenestrant
6-(2,4-dichlorophenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
Molecular Identity
Amcenestrant
6-(2,4-dichlorophenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
PubChem CID: 130232326
2D Structure
Properties
C31H30Cl2FNO3
Molecular Formula
554.50
Molecular Weight
g/mol
553.1587
Exact Mass
Da
5.3
XLogP
Above Lipinski threshold
49.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
832
Complexity
SMILES
Canonical SMILES
SMILES: C1CC2=C(C=CC(=C2)C(=O)O)C(=C(C1)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)OC5CCN(C5)CCCFIsomeric SMILES
SMILES: C1CC2=C(C=CC(=C2)C(=O)O)C(=C(C1)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)O[C@H]5CCN(C5)CCCFSynonyms(20)
Amcenestrant2114339-57-8SAR439859Amcenestrant [INN]Amcenestrant [USAN]TBF1NHY02OUNII-TBF1NHY02O8-(2,4-Dichlorophenyl)-9-[4-[[(3S)-1-(3-fluoropropyl)-3-pyrrolidinyl]oxy]phenyl]-6,7-dihydro-5H-benzocycloheptene-3-carboxylic acidAMCENESTRANT [JAN]AMCENESTRANT [WHO-DD]5H-Benzocycloheptene-3-carboxylic acid, 8-(2,4-dichlorophenyl)-9-(4-(((3S)-1-(3-fluoropropyl)-3-pyrrolidinyl)oxy)phenyl)-6,7-dihydro-8-(2,4-Dichlorophenyl)-9-(4-(((3S)-1-(3-fluoropropyl)-3-pyrrolidinyl)oxy)phenyl)-6,7-dihydro-5H-benzocycloheptene-3-carboxylic acid8-(2,4-DICHLOROPHENYL)-9-(4-(((3S)-1-(3-FLUOROPROPYL)PYRROLIDIN-3-YL)OXY)PHENYL)-6,7-DIHYDRO-5H-BENZO(7)ANNULENE-3-CARBOXYLIC ACIDRefChem:1118836-(2,4-dichlorophenyl)-5-(4-(1-(3-fluoropropyl)pyrrolidin-3-yl)oxyphenyl)-8,9-dihydro-7H-benzo(7)annulene-2-carboxylic acid
Data from PubChem (NCBI)
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