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Substance Name: Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3-bromo-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
RN: 79013-38-0
InChIKey: AQGOCTIOFYVMCJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-Br-N3-O3

Molecular Weight

  • 368.229
 
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Names and Synonyms

Synonym

  • 5-Carbamoyl-1H-imidazole-4-yl 3'-bromoadamantane-1'-carboxylate

Systematic Name

  • Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3-bromo-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester

Registry Numbers

CAS Registry Number

  • 79013-38-0

System Generated Number

  • 0079013380

Structure Descriptors

InChI

1S/C15H18BrN3O3/c16-15-4-8-1-9(5-15)3-14(2-8,6-15)13(21)22-12-10(11(17)20)18-7-19-12/h7-9H,1-6H2,(H2,17,20)(H,18,19)

InChIKey

AQGOCTIOFYVMCJ-UHFFFAOYSA-N

Smiles

C1[C@@H]2CC3(C(=O)Oc4c(nc[nH]4)C(N)=O)C[C@@H]1CC(C2)(Br)C3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 670mg/kg (670mg/kg)   European Patent Application. Vol. #0028936,