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Substance Name: 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-((2'-nitrothien-5'-yl)vinyl)carbonyl-
RN: 57269-30-4
InChIKey: SGMAKYJPZQNTQS-DUXPYHPUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H17-N3-O3-S

Molecular Weight

  • 307.372
 
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Names and Synonyms

Synonyms

  • 5-23-03-00478 (Beilstein Handbook Reference)
  • 8-Methyl-3-((2'-nitrothien-5'-yl)vinyl)carbonyl-3,8-diazabicyclo(3.2.1)octane
  • BRN 0566244

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 57269-30-4

System Generated Number

  • 0057269304

Structure Descriptors

InChI

1S/C14H17N3O3S/c1-15-9-10-6-7-16(12(15)8-10)13(18)4-2-11-3-5-14(21-11)17(19)20/h2-5,10,12H,6-9H2,1H3/b4-2+

InChIKey

SGMAKYJPZQNTQS-DUXPYHPUSA-N

Smiles

C1C[C@@H]2C[C@@H](N1C(=O)\C=C\c1ccc(s1)[N+]([O-])=O)[N@@](C2)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. 206, 1970.