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Substance Name: Coumarin, 7-hydroxy-8-(piperidinomethyl)-4-propyl-, nicotinate (salt)
RN: 10550-24-0
InChIKey: RPFUYQKGHRCDDZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N-O3.C6-H5-N-O2

Molecular Weight

  • 424.494
 
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Names and Synonyms

Synonym

  • 7-Hydroxy-8-(piperidinomethyl)-4-propylcoumarin nicotinate (salt)

Systematic Name

  • Coumarin, 7-hydroxy-8-(piperidinomethyl)-4-propyl-, nicotinate (salt)

Registry Numbers

CAS Registry Number

  • 10550-24-0

System Generated Number

  • 0010550240

Molecular Formulas

Molecular Formula

  • C18-H23-N-O3.C6-H5-N-O2

Molecular Formula Fragments

  • C18-H23-N-O3
  • C6-H5-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23NO3.C6H5NO2/c1-2-6-13-11-17(21)22-18-14(13)7-8-16(20)15(18)12-19-9-4-3-5-10-19;8-6(9)5-2-1-3-7-4-5/h7-8,11,20H,2-6,9-10,12H2,1H3;1-4H,(H,8,9)

InChIKey

RPFUYQKGHRCDDZ-UHFFFAOYSA-N

Smiles

c12c(c(cc(o2)=O)CCC)ccc(c1C[NH+]1CCCCC1)O.c1(cccnc1)C(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 15mg/kg (15mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Chimica Therapeutica. Vol. 1, Pg. 403, 1966.