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Substance Name: Isonipecotonitrile, 4-hydroxy-1-phenethyl-
RN: 23804-59-3
InChIKey: XIUVZQCJSZGEJF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-N2-O

Molecular Weight

  • 230.309
 
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Names and Synonyms

Synonyms

  • 4-Hydroxy-1-phenethyl-4-piperidinecarbonitrile
  • 5-22-05-00027 (Beilstein Handbook Reference)
  • BRN 0477606
  • EINECS 245-891-9

Systematic Names

  • 4-Hydroxy-1-phenethylpiperidine-4-carbonitrile
  • Isonipecotonitrile, 4-hydroxy-1-phenethyl-

Registry Numbers

CAS Registry Number

  • 23804-59-3

System Generated Number

  • 0023804593

Structure Descriptors

InChI

1S/C14H18N2O/c15-12-14(17)7-10-16(11-8-14)9-6-13-4-2-1-3-5-13/h1-5,17H,6-11H2

InChIKey

XIUVZQCJSZGEJF-UHFFFAOYSA-N

Smiles

C1(CCN(CCc2ccccc2)CC1)(C#N)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 63mg/kg (63mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 17, Pg. 433, 1961.