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CAS 103532-27-0

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1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, monohydrochloride, (2R-trans)-

Description:
1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, monohydrochloride, (2R-trans)- is a complex organic compound characterized by its unique bicyclic structure that incorporates both benzothiazepine and methoxyphenyl moieties. This compound features a dimethylamino group, which contributes to its potential pharmacological activity, and an acetoxy group that may enhance its solubility and reactivity. The presence of a hydrochloride salt form indicates that it is likely a stable, water-soluble derivative, which is often advantageous for biological applications. The stereochemistry, denoted as (2R-trans), suggests specific spatial arrangements of its substituents, which can significantly influence its biological interactions and efficacy. Such compounds are often investigated for their potential therapeutic effects, including anxiolytic or antidepressant properties, due to their structural similarity to other bioactive molecules. Overall, this substance exemplifies the intricate relationship between molecular structure and biological activity in medicinal chemistry.
Formula:C22H26N2O4S·ClH
InChI:InChI=1S/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H/t20-,21-;/m1./s1
InChI key:InChIKey=HDRXZJPWHTXQRI-MUCZFFFMSA-N
SMILES:O(C(C)=O)[C@@H]1[C@H](SC=2C(N(CCN(C)C)C1=O)=CC=CC2)C3=CC=C(OC)C=C3.Cl
Synonyms:
  • 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, monohydrochloride, (2R-trans)-
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