5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride
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![5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f0b04190768b49ab8f6704b4488d17a7.png "5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride")
5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride
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CAS No:
40602-08-2
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Formula:
C19H23ClN2O3S
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Chemical Name:
5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride
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Synonyms:
40602-08-2;DTXSID70961013;O-desacetyl-o-desmethyl diltiazem;1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-5-(2-(dimethylamino)ethyl)-3-hydroxy-2-(p-hydroxphenyl)-, monohydrochloride;DS-015876;FT-0665500;5-[2-(Dimethylamino)ethyl]-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one--hydrogen chloride (1/1)
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CAS No:
5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride Basic Attributes
394.9 g/mol
394.1117915 g/mol
Computed Properties
Molecular Weight:394.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:394.1117915
Monoisotopic Mass:394.1117915
Topological Polar Surface Area:89.3
Heavy Atom Count:26
Complexity:454
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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