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Substance Name: 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl-
RN: 57269-48-4
InChIKey: WNDHIVCXRIBPCM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-N3-O3-S

Molecular Weight

  • 281.335
 
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Names and Synonyms

Synonyms

  • 3-Methyl-8-(2-nitro-5-thenoyl)-3,8-diazabicyclo(3.2.1)octane
  • 5-23-03-00478 (Beilstein Handbook Reference)
  • BRN 0558845

Systematic Name

  • 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-nitro-5'-thienyl)carbonyl-

Registry Numbers

CAS Registry Number

  • 57269-48-4

System Generated Number

  • 0057269484

Structure Descriptors

InChI

1S/C12H15N3O3S/c1-13-5-4-8-6-10(13)14(7-8)12(16)9-2-3-11(19-9)15(17)18/h2-3,8,10H,4-7H2,1H3

InChIKey

WNDHIVCXRIBPCM-UHFFFAOYSA-N

Smiles

C1[N@@]([C@@H]2C[C@@H](C1)CN2C(=O)c1ccc(s1)[N+]([O-])=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 30mg/kg (30mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 205, 1970.