Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Azepin-1-amine, hexahydro-N-((2-(5-nitro-2-furanyl)-4-thiazolyl)methylene)-
RN: 31898-54-1
InChIKey: MSQWWMWPNIKNGJ-OQLLNIDSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-N4-O3-S

Molecular Weight

  • 320.371
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • BRN 0564610
  • Hexahydro-N-((2-(5-nitro-2-furanyl)-4-thiazolyl)methylene)-1H-azepin-1-amine

Systematic Name

  • 1H-Azepin-1-amine, hexahydro-N-((2-(5-nitro-2-furanyl)-4-thiazolyl)methylene)-

Registry Numbers

CAS Registry Number

  • 31898-54-1

System Generated Number

  • 0031898541

Structure Descriptors

InChI

1S/C14H16N4O3S/c19-18(20)13-6-5-12(21-13)14-16-11(10-22-14)9-15-17-7-3-1-2-4-8-17/h5-6,9-10H,1-4,7-8H2/b15-9+

InChIKey

MSQWWMWPNIKNGJ-OQLLNIDSSA-N

Smiles

N1(CCCCCC1)\N=C\c1nc(sc1)c1oc(cc1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 946, 1977.
mouse LD50 oral > 1600mg/kg (1600mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 946, 1977.