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Substance Name: 2-Propanol, 1-(cyclohexylmethoxy)-3-((1-methylethyl)amino)-, (Z)-2-butenedioate (1:1) (salt)
RN: 80768-80-5
InChIKey: MHRLBGVAQFRXCB-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H27-N-O2.C4-H4-O4

Molecular Weight

  • 345.4329
 
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Names and Synonyms

Synonyms

  • 1-(Cyclohexylmethoxy)-3-((1-methylethyl)amino)-2-propanol (Z)-2-butenedioate (1:1) (salt)
  • Isopropylamino-3 cyclohexylmethoxy-1 propanol-2 maleate
  • Isopropylamino-3 cyclohexylmethoxy-1 propanol-2 maleate [French]

Systematic Name

  • 2-Propanol, 1-(cyclohexylmethoxy)-3-((1-methylethyl)amino)-, (Z)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 80768-80-5

System Generated Number

  • 0080768805

Molecular Formulas

Molecular Formula

  • C13-H27-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C13-H27-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H27NO2.C4H4O4/c1-11(2)14-8-13(15)10-16-9-12-6-4-3-5-7-12;5-3(6)1-2-4(7)8/h11-15H,3-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

MHRLBGVAQFRXCB-WLHGVMLRSA-N

Smiles

CC(C)NCC(COCC1CCCCC1)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,