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Substance Name: Valeronitrile, 3-methyl-2-(2-morpholinoethyl)-2-phenyl-
RN: 2928-69-0
InChIKey: KUSPAVYMGQSRFN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-N2-O

Molecular Weight

  • 286.416
 
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Names and Synonyms

Synonyms

  • 3-Methyl-2-(2-morpholinoethyl)-2-phenylvaleronitrile
  • BRN 1082256

Systematic Name

  • Valeronitrile, 3-methyl-2-(2-morpholinoethyl)-2-phenyl-

Registry Numbers

CAS Registry Number

  • 2928-69-0

System Generated Number

  • 0002928690

Structure Descriptors

InChI

1S/C18H26N2O/c1-3-16(2)18(15-19,17-7-5-4-6-8-17)9-10-20-11-13-21-14-12-20/h4-8,16H,3,9-14H2,1-2H3

InChIKey

KUSPAVYMGQSRFN-UHFFFAOYSA-N

Smiles

C1CN(CCO1)CC[C@@](C#N)(c1ccccc1)[C@@H](CC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 190mg/kg (190mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 589, 1965.