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Substance Name: 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooctyl)-
RN: 135587-15-4
InChIKey: XBDVKTKILQXMOM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H15-F13-I-N-O3-Si

Molecular Weight

  • 647.2365
 
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Names and Synonyms

Synonym

  • BRN 5364737

Systematic Name

  • 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooctyl)-

Registry Numbers

CAS Registry Number

  • 135587-15-4

System Generated Number

  • 0135587154

Structure Descriptors

InChI

1S/C14H15F13INO3Si/c15-9(16,7-8(28)33-30-4-1-29(2-5-31-33)3-6-32-33)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h8H,1-7H2

InChIKey

XBDVKTKILQXMOM-UHFFFAOYSA-N

Smiles

C1CO[Si]2(OCCN1CCO2)C(CC(C(C(C(C(C(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.