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Substance Name: 3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester
RN: 126947-69-1
InChIKey: MWKLRJJNUUZQOJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-Br-N-O2

Molecular Weight

  • 336.227
 
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Names and Synonyms

Synonyms

  • 5-Bromonicotinic acid adamant-1-yl ester
  • BRN 4258885
  • Tricyclo(3.3.1.1(sup 3,7))dec-1-yl 5-bromo-3-pyridinecarboxylate

Systematic Name

  • 3-Pyridinecarboxylic acid, 5-bromo-, tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester

Registry Numbers

CAS Registry Number

  • 126947-69-1

System Generated Number

  • 0126947691

Structure Descriptors

InChI

1S/C16H18BrNO2/c17-14-4-13(8-18-9-14)15(19)20-16-5-10-1-11(6-16)3-12(2-10)7-16/h4,8-12H,1-3,5-7H2

InChIKey

MWKLRJJNUUZQOJ-UHFFFAOYSA-N

Smiles

C1C2(OC(c3cc(cnc3)Br)=O)CC3CC(C2)CC1C3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 3gm/kg (3000mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(1), Pg. 26, 1990.