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Substance Name: Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt)
RN: 10550-22-8
InChIKey: VEJBDJHNJSBIOR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N-O3.C6-H5-N-O2

Molecular Weight

  • 396.441
 
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Names and Synonyms

Synonym

  • 7-Hydroxy-4-methyl-8-(piperidinomethyl)-4-methylcoumarin isonicotinate (salt)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 10550-22-8

System Generated Number

  • 0010550228

Molecular Formulas

Molecular Formula

  • C16-H19-N-O3.C6-H5-N-O2

Molecular Formula Fragments

  • C16-H19-N-O3
  • C6-H5-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C16H19NO3.C6H5NO2/c1-11-9-15(19)20-16-12(11)5-6-14(18)13(16)10-17-7-3-2-4-8-17;8-6(9)5-1-3-7-4-2-5/h5-6,9,18H,2-4,7-8,10H2,1H3;1-4H,(H,8,9)

InChIKey

VEJBDJHNJSBIOR-UHFFFAOYSA-N

Smiles

c12c(C[NH+]3CCCCC3)c(ccc1c(cc(o2)=O)C)O.c1(ccncc1)C(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 40mg/kg (40mg/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.