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Substance Name: 2-Propanol, 1-cyclohexyloxy-3-cyclopentylamino-, fumarate
RN: 72805-99-3
InChIKey: VAUIOLHZGDIDFK-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

Synonym

  • 1-Cyclohexyloxy-3-cyclopentylamino-2-propanol fumarate

Systematic Name

  • 2-Propanol, 1-cyclohexyloxy-3-cyclopentylamino-, fumarate

Registry Numbers

CAS Registry Number

  • 72805-99-3

System Generated Number

  • 0072805993

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/c16-13(10-15-12-6-4-5-7-12)11-17-14-8-2-1-3-9-14;5-3(6)1-2-4(7)8/h12-16H,1-11H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

VAUIOLHZGDIDFK-WLHGVMLRSA-N

Smiles

C1CCC(CC1)OCC(CNC2CCCC2)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 108mg/kg (108mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"

AUTONOMIC NERVOUS SYSTEM: BETA ADRENERGIC BLOCKAGE
Archiv der Pharmazie Vol. 312, Pg. 881, 1979.