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Substance Name: Pyrrolidineethanamine, N-(2-nitro-3-thienyl)-, monohydrochloride
RN: 122777-92-8
InChIKey: KIEYQESHMUDSHB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H15-N3-O2-S.Cl-H

Molecular Weight

  • 277.7744
 
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Names and Synonyms

Synonym

  • N-(2-Nitro-3-thienyl)pyrrolidineethanamine monohydrochloride

Systematic Name

  • Pyrrolidineethanamine, N-(2-nitro-3-thienyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 122777-92-8

System Generated Number

  • 0122777928

Molecular Formulas

Molecular Formula

  • C10-H15-N3-O2-S.Cl-H

Molecular Formula Fragments

  • C10-H15-N3-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C10H15N3O2S.ClH/c14-13(15)10-9(3-8-16-10)11-4-7-12-5-1-2-6-12;/h3,8,11H,1-2,4-7H2;1H

InChIKey

KIEYQESHMUDSHB-UHFFFAOYSA-N

Smiles

c1csc(c1NCCN2CCCC2)[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.