1,1′-[1,2-Ethanediylbis[(methylimino)[(2S)-2-ethyl-2,1-ethanediyl]]] bis(3,4,5-trimethoxybenzoate)
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![1,1′-[1,2-Ethanediylbis[(methylimino)[(2S)-2-ethyl-2,1-ethanediyl]]] bis(3,4,5-trimethoxybenzoate) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/293033bfed874f4ba2111bec8472a57d.png "1,1′-[1,2-Ethanediylbis[(methylimino)[(2S)-2-ethyl-2,1-ethanediyl]]] bis(3,4,5-trimethoxybenzoate)")
1,1′-[1,2-Ethanediylbis[(methylimino)[(2S)-2-ethyl-2,1-ethanediyl]]] bis(3,4,5-trimethoxybenzoate)
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CAS No:
55769-65-8
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Formula:
C32H48N2O10
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Chemical Name:
1,1′-[1,2-Ethanediylbis[(methylimino)[(2S)-2-ethyl-2,1-ethanediyl]]] bis(3,4,5-trimethoxybenzoate)
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Synonyms:
Benzoic acid,3,4,5-trimethoxy-,1,1′-[1,2-ethanediylbis[(methylimino)[(2S)-2-ethyl-2,1-ethanediyl]]] ester;Benzoic acid,3,4,5-trimethoxy-,1,2-ethanediylbis[(methylimino)(2-ethyl-2,1-ethanediyl)] ester,[S-(R*,R*)]-;Benzoic acid,3,4,5-trimethoxy-,1,2-ethanediylbis[(methylimino)[(2S)-2-ethyl-2,1-ethanediyl]] ester;1,1′-[1,2-Ethanediylbis[(methylimino)[(2S)-2-ethyl-2,1-ethanediyl]]] bis(3,4,5-trimethoxybenzoate);Butobendine;Butobendin;(2S,2′S)-Butobendin
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CAS No:
1,1′-[1,2-Ethanediylbis[(methylimino)[(2S)-2-ethyl-2,1-ethanediyl]]] bis(3,4,5-trimethoxybenzoate) Basic Attributes
620.735
620.73
RP2J52327K
DTXSID10204330
Characteristics
115
4.17280
1.127g/cm3
60-62 °C
628.1ºC at 760mmHg
333.7ºC
1.522
D20 +2.4° (c = 5 in ethanol)
Computed Properties
Molecular Weight:620.7
XLogP3:5.1
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:21
Exact Mass:620.33089573
Monoisotopic Mass:620.33089573
Topological Polar Surface Area:115
Heavy Atom Count:44
Complexity:741
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
1,1′-[1,2-Ethanediylbis[(methylimino)[(2S)-2-ethyl-2,1-ethanediyl]]] bis(3,4,5-trimethoxybenzoate)
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