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Substance Name: 1,2-Ethanediamine, N-(2,3-dihydro-1-benzothiepin-5-yl)-N',N'-dimethyl-N-hydroxy-, monohydrochloride
RN: 37014-69-0
InChIKey: GNBDCZUNFIWLML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-N2-O-S.Cl-H

Molecular Weight

  • 300.852
 
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Names and Synonyms

Synonyms

  • 5-(N-(2-Dimethylaminoethyl)hydroxylamino)-2,3-dihydro-1-benzothiepin hydrochloride
  • N-(2,3-Dihydro-1-benzothiepin-5-yl)-N',N'-dimethyl-N-hydroxy-1,2-ethanediamine HCl

Systematic Name

  • 1,2-Ethanediamine, N-(2,3-dihydro-1-benzothiepin-5-yl)-N',N'-dimethyl-N-hydroxy-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 37014-69-0

System Generated Number

  • 0037014690

Molecular Formulas

Molecular Formula

  • C14-H20-N2-O-S.Cl-H

Molecular Formula Fragments

  • C14-H20-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H20N2OS.ClH/c1-15(2)9-10-16(17)13-7-5-11-18-14-8-4-3-6-12(13)14;/h3-4,6-8,17H,5,9-11H2,1-2H3;1H

InChIKey

GNBDCZUNFIWLML-UHFFFAOYSA-N

Smiles

C(CN(C)C)N(O)C1=CCCSc2c1cccc2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 1195, 1972.