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Substance Name: 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-5-(2-(dimethylamino)ethyl)-3-hydroxy-2-(p-methoxyphenyl)-, monohydrochloride, (Z)-
RN: 40601-99-8
InChIKey: XNQWAVFYFJXSHD-GRTNUQQKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N2-O3-S.Cl-H

Molecular Weight

  • 408.9475
 
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Names and Synonyms

  • 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-5-(2-(dimethylamino)ethyl)-3-hydroxy-2-(p-methoxyphenyl)-, monohydrochloride, (Z)-

Registry Numbers

CAS Registry Number

  • 40601-99-8

System Generated Number

  • 0040601998

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O3-S.Cl-H

Molecular Formula Fragments

  • C20-H24-N2-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N2O3S.ClH/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14;/h4-11,18-19,23H,12-13H2,1-3H3;1H/t18-,19+;/m0./s1

InChIKey

XNQWAVFYFJXSHD-GRTNUQQKSA-N

Smiles

CN(C)CCN1c2ccccc2S[C@@H]([C@@H](C1=O)O)c3ccc(cc3)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 83mg/kg (83mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 21, Pg. 92, 1973.