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Substance Name: 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(2'-nitrothien-5'-yl)carbonyl-
RN: 57269-28-0
InChIKey: TYILFKWCXBXXQZ-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

  • 5-23-03-00478 (Beilstein Handbook Reference)
  • 8-Methyl-3-(2'-nitrothien-5'-yl)carbonyl-3,8-diazabicyclo(3.2.1)octane
  • BRN 0558337

Systematic Name

  • 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(2'-nitrothien-5'-yl)carbonyl-

Registry Numbers

CAS Registry Number

  • 57269-28-0

System Generated Number

  • 0057269280

Structure Descriptors

InChI

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

InChIKey

TYILFKWCXBXXQZ-UHFFFAOYSA-N

Smiles

[N+]([O-])(=O)c1ccc(s1)C(N1CC[C@@H]2C[C@@H]1[N@@](C2)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 206, 1970.