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[(2S,3S)-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate

[(2S,3S)-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate structure

CAS No:
85100-17-0
Formula:
C21H24N2O4S
Chemical Name:
[(2S,3S)-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
Synonyms:
N-demethyldiltiazem;N-desmethyldiltiazem;N-monodemethyldiltiazem;N-monodemethyldiltiazem, cis-(+)-isomer;N-monodemethyldiltiazem, cis-(+-)-isomer;N-monodemethyldiltiazem, cis-(-)-isomer;N-Demethyldiltiazem;N-Desmethyldiltiazem;N-Monodemethyldiltiazem;85100-17-0;UNII-IF0841K5LK;IF0841K5LK;[(2S,3S)-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;cis-3-(Acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-5-(2-(methylamino)ethyl)-1,5-benzothiazepin-4(5H)-one;86408-45-9;CHEMBL3350581;SCHEMBL12592499;DTXSID40234221;DTXSID60873797;CHEBI:169303;Cis-2-(4-methoxyphenyl)-5-(2-(methylamino)ethyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate;ZINC5166438;AKOS030242881;Diltiazem EP Impurity D; N-Desmethyl Diltiazem;Q27280692;(2S,3S)-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate; (2S-cis)-3-(Acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-1,5-benzothiazepin-4(5H)-one Monohydrochloride; N-Demethyldiltiazem; N-Monodesmethyldiltiazem;1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-5-(2-(methylamino)ethyl)-, (2S,3S)-;1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-5-(2-(methylamino)ethyl)-, cis-

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Description

N-Desmethyldiltiazem is a benzothiazepine.

[(2S,3S)-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Basic Attributes

Molecular Weight：

400.5 g/mol

Exact Mass：

400.14567842 g/mol

UNII：

IF0841K5LK

DSSTox ID：

DTXSID40234221

Characteristics

PSA：

93.2 Å²

Drug Information

Metabolism/Metabolites：

N-Demethyldiltiazem is a known human metabolite of diltiazem.

MeSH Entry Terms：

N-demethyldiltiazem

Computed Properties

Molecular Weight:400.5
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:400.14567842
Monoisotopic Mass:400.14567842
Topological Polar Surface Area:93.2
Heavy Atom Count:28
Complexity:539
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(2S,3S)-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
Learn More Other Chemicals

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