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Substance Name: BRN 5368036
RN: 135587-16-5
InChIKey: JUHOKAYCHOHTFB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-F16-I-N-O3-Si

Molecular Weight

  • 729.2604
 
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Names and Synonyms

Results Name

  • BRN 5368036

Synonym

  • BRN 5368036

Systematic Name

  • 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-iododecyl)-

Registry Numbers

CAS Registry Number

  • 135587-16-5

System Generated Number

  • 0135587165

Structure Descriptors

InChI

1S/C16H16F16INO3Si/c17-9(18)11(21,22)13(25,26)15(29,30)16(31,32)14(27,28)12(23,24)10(19,20)7-8(33)38-35-4-1-34(2-5-36-38)3-6-37-38/h8-9H,1-7H2

InChIKey

JUHOKAYCHOHTFB-UHFFFAOYSA-N

Smiles

C1CO[Si]2(OCCN1CCO2)C(CC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3gm/kg (3000mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 405, 1991.