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Substance Name: 1-Naphthaleneacetonitrile, alpha-sec-butyl-alpha-(2-morpholinoethyl)-
RN: 1241-65-2
InChIKey: VNUYADCWVCUHBG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O

Molecular Weight

  • 336.476
 
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Names and Synonyms

Synonyms

  • alpha-sec-Butyl-alpha-(2-morpholinoethyl)-1-naphthaleneacetonitrile
  • BRN 1087846

Systematic Name

  • 1-Naphthaleneacetonitrile, alpha-sec-butyl-alpha-(2-morpholinoethyl)-

Registry Numbers

CAS Registry Number

  • 1241-65-2

System Generated Number

  • 0001241652

Structure Descriptors

InChI

1S/C22H28N2O/c1-3-18(2)22(17-23,11-12-24-13-15-25-16-14-24)21-10-6-8-19-7-4-5-9-20(19)21/h4-10,18H,3,11-16H2,1-2H3

InChIKey

VNUYADCWVCUHBG-UHFFFAOYSA-N

Smiles

c1([C@@](CCN2CCOCC2)([C@@H](CC)C)C#N)c2c(ccc1)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 380mg/kg (380mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 589, 1965.