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Substance Name: 1,3-Propanediamine, N,N-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride
RN: 122777-89-3
InChIKey: RASGTUXWSBMYCQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H19-N3-O2-S.Cl-H

Molecular Weight

  • 293.817
 
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Names and Synonyms

Synonyms

  • 3-Thiophenamine, N-(3-(diethylamino)propyl)-2-nitro-, monohydrochloride
  • N,N-Diethyl-N'-(2-nitro-3-thienyl)-1,3-propanediamine hydrochloride

Systematic Name

  • 1,3-Propanediamine, N,N-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 122777-89-3

System Generated Number

  • 0122777893

Molecular Formulas

Molecular Formula

  • C11-H19-N3-O2-S.Cl-H

Molecular Formula Fragments

  • C11-H19-N3-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H19N3O2S.ClH/c1-3-13(4-2)8-5-7-12-10-6-9-17-11(10)14(15)16;/h6,9,12H,3-5,7-8H2,1-2H3;1H

InChIKey

RASGTUXWSBMYCQ-UHFFFAOYSA-N

Smiles

CCN(CC)CCCNc1ccsc1[N+](=O)[O-].Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 553, 1988.
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 553, 1988.