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Substance Name: 2-Propanol, 1-cyclopentylamino-3-cyclopentyloxy-, fumarate
RN: 72805-96-0
InChIKey: KXCRLOFXJIOJNO-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H25-N-O2.C4-H4-O4

Molecular Weight

  • 343.4171
 
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Names and Synonyms

Synonym

  • 1-Cyclopentylamino-3-cyclopentyloxy-2-propanol fumarate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 72805-96-0

System Generated Number

  • 0072805960

Molecular Formulas

Molecular Formula

  • C13-H25-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C13-H25-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H25NO2.C4H4O4/c15-12(9-14-11-5-1-2-6-11)10-16-13-7-3-4-8-13;5-3(6)1-2-4(7)8/h11-15H,1-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

KXCRLOFXJIOJNO-WLHGVMLRSA-N

Smiles

C1CCC(C1)NCC(COC2CCCC2)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 144mg/kg (144mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"

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