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Substance Name: 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((3,7,11-trimethyl-2,6,10-dodecatrienyl)oxy)-, (E,E)-, (Z)-2-butenedioate (1:1)
RN: 80762-85-2
InChIKey: WTZBWMKHXDEZLF-ACOPWBAVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H41-N-O2.C4-H4-O4

Molecular Weight

  • 467.6425
 
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Names and Synonyms

Synonyms

  • 1-(t-Butylamino)-3-((3,7,11-trimethyl-2,6,10-dodecatrienyl)oxy)-2-propanol maleate
  • Tertiobutylamino-3 (trimethyl-3,7,11 dodecatriene-2,6,10 yl-1)oxy-1 propanol-2 maleate

Systematic Name

  • 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((3,7,11-trimethyl-2,6,10-dodecatrienyl)oxy)-, (E,E)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 80762-85-2

System Generated Number

  • 0080762852

Molecular Formulas

Molecular Formula

  • C22-H41-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C22-H41-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H41NO2.C4H4O4/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-25-17-21(24)16-23-22(5,6)7;5-3(6)1-2-4(7)8/h10,12,14,21,23-24H,8-9,11,13,15-17H2,1-7H3;1-2H,(H,5,6)(H,7,8)/b19-12+,20-14+;2-1+

InChIKey

WTZBWMKHXDEZLF-ACOPWBAVSA-N

Smiles

CC(=CCC/C(=C/CC/C(=C/COCC(CNC(C)(C)C)O)/C)/C)C.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 20mg/kg (20mg/kg)   European Patent Application. Vol. #0037780,
mouse LD50 oral 700mg/kg (700mg/kg)   European Patent Application. Vol. #0037780,