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Substance Name: Imidazo(4,5-c)thieno(1,2-a)thiolium, decahydro-1,3-dibenzyl-2-oxo-, 2-oxo-10-boranesulfonate, l-
RN: 101833-83-4
InChIKey: HALWUDBBYKMYPW-UAHUKZOTSA-M

Molecular Formula

  • C22-H25-N2-O-S.C10-H15-O4-S

Molecular Weight

  • 596.809
 
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Names and Synonyms

Synonyms

  • l-1,3-Dibenzyldecahydro-2-oxoimidazo(4,5-c)thieno(1,2-a)thiolium 2-oxo-10-boranesulfonate
  • l-3,4-(1',3'-Dibenzyl-2'-keto-imidazolido)-1,2-trimethylene thiophaniumcamphor sulfonate
  • NU-2221

Systematic Name

  • Imidazo(4,5-c)thieno(1,2-a)thiolium, decahydro-1,3-dibenzyl-2-oxo-, 2-oxo-10-boranesulfonate, l-

Registry Numbers

CAS Registry Number

  • 101833-83-4

System Generated Number

  • 0101833834

Molecular Formulas

Molecular Formula

  • C22-H25-N2-O-S.C10-H15-O4-S

Molecular Formula Fragments

  • C10-H15-O4-S
  • C22-H25-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25N2OS.C10H16O4S/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h1-6,8-11,19-21H,7,12-16H2;7H,3-6H2,1-2H3,(H,12,13,14)/q+1;/p-1/t;7?,10-/m.0/s1

InChIKey

HALWUDBBYKMYPW-UAHUKZOTSA-M

Smiles

CC1(C2CC[C@@]1(C(=O)C2)CS(=O)(=O)[O-])C.c1ccc(cc1)CN2C3C[S+]4CCCC4C3N(C2=O)Cc5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 135mg/kg (135mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of Pharmacology and Experimental Therapeutics. Vol. 97, Pg. 48, 1949.
mouse LD50 intravenous 23mg/kg (23mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of Pharmacology and Experimental Therapeutics. Vol. 97, Pg. 48, 1949.