Atrasentan hydrochloride
(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
Molecular Identity
Atrasentan hydrochloride
(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID: 159595
2D Structure
Properties
C29H39ClN2O6
Molecular Formula
547.10
Molecular Weight
g/mol
546.2497
Exact Mass
Da
88.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
734
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Atrasentan hydrochloride195733-43-8Atrasentan HClABBOT-147627E4G31X93ZAA-147627.1DTXSID20173240XinlayNSC720763RefChem:115500DTXCID7095731(2R,3R,4S)-4-(1,3-Benzodioxo-5-yl)-1-(2-(dibutylamino)-2-oxoethyl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic Acid MonohydrochlorideAtrasentan (hydrochloride)Atrasentan hydrochloride [USAN]3-Pyrrolidinecarboxylicacid,4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-,hydrochloride (1:1), (2R,3R,4S)-
Data from PubChem (NCBI)
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