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Substance Name: 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3- phenyl-2H-1,4-benzothiazine
RN: 42583-66-4
InChIKey: FEXADQLJIYBFNE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O-S.Cl-H

Molecular Weight

  • 390.976
 
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Names and Synonyms

Name of Substance

  • 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3- phenyl-2H-1,4-benzothiazine

Synonyms

  • 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine
  • 2-Acetyl-4-(3-(dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine hydrochloride

Systematic Name

  • Ketone, 4-(3-(dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazin-2-yl methyl-, monohydrochloride, trans-

Registry Numbers

CAS Registry Number

  • 42583-66-4

System Generated Number

  • 0042583664

Molecular Formulas

Molecular Formula

  • C21-H26-N2-O-S.Cl-H

Molecular Formula Fragments

  • C21-H26-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26N2OS.ClH/c1-16(24)21-20(17-10-5-4-6-11-17)23(15-9-14-22(2)3)18-12-7-8-13-19(18)25-21;/h4-8,10-13,20-21H,9,14-15H2,1-3H3;1H

InChIKey

FEXADQLJIYBFNE-UHFFFAOYSA-N

Smiles

N1([C@@H]([C@@H](Sc2c1cccc2)C(C)=O)c1ccccc1)CCC[NH+](C)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 560mg/kg (560mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 780, 1973.
mouse LD50 oral 560mg/kg (560mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 16, Pg. 780, 1973.