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Substance Name: 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)-
RN: 6699-12-3
InChIKey: SVZYYHKYXSDMQX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2

Molecular Weight

  • 320.477
 
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Names and Synonyms

Synonyms

  • 1-Pyrrolidinevaleronitrile, alpha-isopropyl-alpha-1-naphthyl-
  • alpha-Isopropyl-alpha-(3-pyrrolidinopropyl)-1-naphthaleneacetonitrile

Systematic Name

  • 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)-

Registry Numbers

CAS Registry Number

  • 6699-12-3

System Generated Number

  • 0006699123

Structure Descriptors

InChI

1S/C22H28N2/c1-18(2)22(17-23,13-8-16-24-14-5-6-15-24)21-12-7-10-19-9-3-4-11-20(19)21/h3-4,7,9-12,18H,5-6,8,13-16H2,1-2H3

InChIKey

SVZYYHKYXSDMQX-UHFFFAOYSA-N

Smiles

c1([C@@](CCCN2CCCC2)(C(C)C)C#N)c2c(ccc1)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 60mg/kg (60mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Medicinal Chemistry. Vol. 9, Pg. 707, 1966.