methyl 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate,(E)-4-oxopent-2-enoic acid
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![methyl 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate,(E)-4-oxopent-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/de232cc745c1457fbe44713d354ffdbf.png "methyl 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate,(E)-4-oxopent-2-enoic acid")
methyl 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate,(E)-4-oxopent-2-enoic acid
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CAS No:
87857-42-9
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Formula:
C24H29NO6
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Chemical Name:
methyl 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate,(E)-4-oxopent-2-enoic acid
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Synonyms:
(E)-4-oxopent-2-enoic acid; methyl 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate; Benzoic acid,4-(2-((2-hydroxy-2-phenylethyl)amino)propyl)-,methyl ester,(R*,R*)-(+-)-,(E)-2-butenedioate (2:1) (salt); Methyl 4-(2-((2-hydroxy-2-phenethyl)amino)propyl)benzoate-2-butanedioate;
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CAS No:
methyl 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate,(E)-4-oxopent-2-enoic acid Basic Attributes
427.49000
427.19948764
Drug Information
Drugs that selectively bind to and activate beta-adrenergic receptors. (See all compounds classified as Adrenergic beta-Agonists.)|Substances which lower blood glucose levels. (See all compounds classified as Hypoglycemic Agents.)
BRL 26830
Computed Properties
Molecular Weight:427.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:427.19948764
Monoisotopic Mass:427.19948764
Topological Polar Surface Area:113
Heavy Atom Count:31
Complexity:481
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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