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Substance Name: Coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-, isonicotinate (salt)
RN: 10550-27-3
InChIKey: MUWUZLSHEFBPKO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-N-O3.C6-H5-N-O2

Molecular Weight

  • 458.511
 
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Names and Synonyms

Synonym

  • 7-Hydroxy-4-phenyl-8-(piperidinomethyl)coumarin isonicotinate (salt)

Systematic Name

  • Coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-, isonicotinate (salt)

Registry Numbers

CAS Registry Number

  • 10550-27-3

System Generated Number

  • 0010550273

Molecular Formulas

Molecular Formula

  • C21-H21-N-O3.C6-H5-N-O2

Molecular Formula Fragments

  • C21-H21-N-O3
  • C6-H5-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H21NO3.C6H5NO2/c23-19-10-9-16-17(15-7-3-1-4-8-15)13-20(24)25-21(16)18(19)14-22-11-5-2-6-12-22;8-6(9)5-1-3-7-4-2-5/h1,3-4,7-10,13,23H,2,5-6,11-12,14H2;1-4H,(H,8,9)

InChIKey

MUWUZLSHEFBPKO-UHFFFAOYSA-N

Smiles

c12c(c(c3ccccc3)cc(o2)=O)ccc(c1C[NH+]1CCCCC1)O.c1(ccncc1)C(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 120mg/kg (120mg/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.