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Substance Name: 2H-1,4-Benzothiazin-3(4H)-one, 4-(2-diethylaminoethyl)-2-phenyl-, hydrochloride
RN: 4734-13-8
InChIKey: WSLDGTSNHFTJEB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N2-O-S.Cl-H

Molecular Weight

  • 376.949
 
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Names and Synonyms

Synonym

  • 4-(2-Diethylaminoethyl)-2-phenyl-2H-1,4-benzothiazin 3(4H)-one hydrochloride

Systematic Name

  • 2H-1,4-Benzothiazin-3(4H)-one, 4-(2-diethylaminoethyl)-2-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 4734-13-8

System Generated Number

  • 0004734138

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O-S.Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C20H24N2OS.ClH/c1-3-21(4-2)14-15-22-17-12-8-9-13-18(17)24-19(20(22)23)16-10-6-5-7-11-16;/h5-13,19H,3-4,14-15H2,1-2H3;1H

InChIKey

WSLDGTSNHFTJEB-UHFFFAOYSA-N

Smiles

S1[C@@H](C(N(c2c1cccc2)CCN(CC)CC)=O)c1ccccc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01038,
mouse LD50 subcutaneous 625mg/kg (625mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 214, 1963.