1H-Isoindol-1-one, 2,3-dihydro-3-[(2R)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]-2-phenyl-, (3S)-rel-, (2E)-2-butenedioate (1:1) (salt)
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![1H-Isoindol-1-one, 2,3-dihydro-3-[(2R)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]-2-phenyl-, (3S)-rel-, (2E)-2-butenedioate (1:1) (salt) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b4922aa3c35b4fee885383339e461cb4.png "1H-Isoindol-1-one, 2,3-dihydro-3-[(2R)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]-2-phenyl-, (3S)-rel-, (2E)-2-butenedioate (1:1) (salt)")
1H-Isoindol-1-one, 2,3-dihydro-3-[(2R)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]-2-phenyl-, (3S)-rel-, (2E)-2-butenedioate (1:1) (salt)
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CAS No:
70096-14-9
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Formula:
C20H24N2O3.C4H4O4
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Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3-[(2R)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]-2-phenyl-, (3S)-rel-, (2E)-2-butenedioate (1:1) (salt)
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Synonyms:
1H-Isoindol-1-one,2,3-dihydro-3-[(2R)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]-2-phenyl-,(3S)-rel-,(2E)-2-butenedioate (1:1) (salt);1H-Isoindol-1-one,2,3-dihydro-3-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-2-phenyl-,(R*,S*)-(±)-,(E)-2-butenedioate (1:1) (salt)
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CAS No:
1H-Isoindol-1-one, 2,3-dihydro-3-[(2R)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]-2-phenyl-, (3S)-rel-, (2E)-2-butenedioate (1:1) (salt) Basic Attributes
458.50400
458.20530130 g/mol
274-314-3
Computed Properties
Molecular Weight:458.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:458.20530130
Monoisotopic Mass:458.20530130
Topological Polar Surface Area:136
Heavy Atom Count:33
Complexity:529
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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