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Substance Name: (2R-cis)-3-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride
RN: 42399-54-2
InChIKey: HDRXZJPWHTXQRI-JUDYQFGCSA-N

Molecular Formula

  • C22-H26-N2-O4-S.Cl-H

Molecular Weight

  • 450.9843
 
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Names and Synonyms

Synonym

  • EINECS 255-802-5

Systematic Name

  • (2R-cis)-3-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride

Registry Numbers

CAS Registry Number

  • 42399-54-2

System Generated Number

  • 0042399542

Molecular Formulas

Molecular Formula

  • C22-H26-N2-O4-S.Cl-H

Molecular Formula Fragments

  • C22-H26-N2-O4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

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+;/m0./s1

InChIKey

HDRXZJPWHTXQRI-JUDYQFGCSA-N

Smiles

CC(=O)O[C@H]1[C@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC.Cl