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Substance Name: Borate(1-), diphenyl(1,3-propanediolato(2-)-O,O')-(T-4)-, hydrogen, compd. with 1-dodecanamine (1:1)
RN: 115169-11-4
InChIKey: RRRYHBVDRLHAQS-UHFFFAOYSA-O

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H16-B-O2.C12-H27-N

Molecular Weight

  • 425.4606
 
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Names and Synonyms

  • Borate(1-), diphenyl(1,3-propanediolato(2-)-O,O')-(T-4)-, hydrogen, compd. with 1-dodecanamine (1:1)

Registry Numbers

CAS Registry Number

  • 115169-11-4

System Generated Number

  • 0115169114

Molecular Formulas

Molecular Formula

  • C10-H16-B-O2.C12-H27-N

Molecular Formula Fragments

  • C10-H16-B-O2
  • C12-H27-N
  • COMPONENT

Structure Descriptors

InChI

1S/C12H27N.2C6H5.C3H6O2.B/c1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-2-4-6-5-3-1;4-2-1-3-5;/h2-13H2,1H3;2*1-5H;1-3H2;/q;2*-1;-2;+3/p+1

InChIKey

RRRYHBVDRLHAQS-UHFFFAOYSA-O

Smiles

[H+].[B+3].CCCCCCCCCCCCN.c1cc[c-]cc1.c1cc[c-]cc1.C(C[O-])C[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 850mg/kg (850mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 314, 1988.