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Substance Name: Phenol, 2,4,6-tris(dimethylaminomethyl)-, trioleate
RN: 67274-16-2
InChIKey: RWLRWONNIHIYGR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H30-N3-O.3C54-H102-O6

Molecular Weight

  • 1112.7921
 
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Names and Synonyms

Synonyms

  • 2,4,6-Tris(dimethylaminomethyl)phenol, trioleate
  • Trioleate-2,4,6-tris(dimethylaminomethyl)phenol
  • TTDP

Systematic Name

  • Phenol, 2,4,6-tris(dimethylaminomethyl)-, trioleate

Registry Numbers

CAS Registry Number

  • 67274-16-2

System Generated Number

  • 0067274162

Molecular Formulas

Molecular Formula

  • C15-H30-N3-O.3C54-H102-O6

Molecular Formula Fragments

  • C15-H30-N3-O
  • C54-H102-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C69H129N3O7/c1-60(51-45-39-33-27-21-15-11-12-18-24-30-36-42-48-54-68(77)78)72(6)59-64-57-63(61(2)70(4)55-49-43-37-31-25-19-13-7-9-16-22-28-34-40-46-52-66(73)74)58-65(69(64)79)62(3)71(5)56-50-44-38-32-26-20-14-8-10-17-23-29-35-41-47-53-67(75)76/h57-58,60-62,79H,7-56,59H2,1-6H3,(H,73,74)(H,75,76)(H,77,78)

InChIKey

RWLRWONNIHIYGR-UHFFFAOYSA-N

Smiles

CC(CCCCCCCCCCCCCCCCC(=O)O)N(C)Cc1cc(cc(c1O)C(C)N(C)CCCCCCCCCCCCCCCCCC(=O)O)C(C)N(C)CCCCCCCCCCCCCCCCCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 11800mg/kg (11800mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Russian Pharmacology and Toxicology Vol. 37, Pg. 130, 1974.