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Substance Name: 2-Propanol, 1-(3-cyclohexen-1-ylmethoxy)-3-((1,1-dimethylethyl)amino)-, (Z)-2-butenedioate (1:1) (salt)
RN: 80768-86-1
InChIKey: YWOLHGFYGAJFFZ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H27-N-O2.C4-H4-O4

Molecular Weight

  • 357.4439
 
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Names and Synonyms

Synonyms

  • 1-t-Butylamino-3-(3-cyclohexen-1-ylmethoxy)-2-propanol maleate
  • Tertiobutylamino-3 (cyclohexen-3 yl-1) methoxy-1 propanol-2 maleate
  • Tertiobutylamino-3 (cyclohexen-3 yl-1) methoxy-1 propanol-2 maleate [French]

Systematic Name

  • 2-Propanol, 1-(3-cyclohexen-1-ylmethoxy)-3-((1,1-dimethylethyl)amino)-, (Z)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 80768-86-1

System Generated Number

  • 0080768861

Molecular Formulas

Molecular Formula

  • C14-H27-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C14-H27-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C14H27NO2.C4H4O4/c1-14(2,3)15-9-13(16)11-17-10-12-7-5-4-6-8-12;5-3(6)1-2-4(7)8/h4-5,12-13,15-16H,6-11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

YWOLHGFYGAJFFZ-WLHGVMLRSA-N

Smiles

CC(C)(C)NCC(COCC1CCC=CC1)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   European Patent Application. Vol. #0037777,
mouse LD50 oral 700mg/kg (700mg/kg)   European Patent Application. Vol. #0037777,