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Substance Name: Mercaptoundecahydrododecaborate
RN: 12294-22-3
InChIKey: CSMJVHYLALIZNX-UHFFFAOYSA-N

Note

  • Agent used for the boron-neutron capture therapy of brain tumor; incorporated selectively into malignant tissue.

Molecular Formula

  • B12-H12-S

Molecular Weight

  • 162.8059
 
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Names and Synonyms

Name of Substance

  • Mercaptoundecahydrododecaborate

Synonyms

  • 12-Mercapto-1,2,3,4,5,6,7,8,9,10,11-undecahydro-dodecaborate(2-)
  • Borocaptate sodium
  • Mercaptoundecahydrododecaborate, sodium salt
  • Sodium borocaptate (Na2B12H11SH)
  • Sulfhydryl borane monomer
  • Sulfhydryl boron hydride

Systematic Name

  • Dodecaborate(2-), 1,2,3,4,5,6,7,8,9,10,11-undecahydro-12-mercapto-

Registry Numbers

CAS Registry Number

  • 12294-22-3

Related Registry Numbers

  • 103831-41-0 (di-Na salt)
  • 12448-24-7 (hydrochloride salt)

System Generated Number

  • 0012294223

Structure Descriptors

InChI

1S/B12HS/c13-12-7-2-1-3(2,7)5(1)6(1)4(1,2)8(2,7,12)10(4,6,12)11(5,6,12)9(3,5,7)12/h13H

InChIKey

CSMJVHYLALIZNX-UHFFFAOYSA-N

Smiles

B1234B567B189B212B33%10B454B656B787B911B232B4%105B7612S