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Substance Name: 1-Naphthaleneacetaldehyde, alpha-butyl-alpha-(2-pyrrolidinoethyl)-
RN: 30121-15-4
InChIKey: XIMOEGPVAXZFHV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N-O

Molecular Weight

  • 323.477
 
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Names and Synonyms

Synonyms

  • alpha-Butyl-alpha-(2-pyrrolidinoethyl)-1-naphthaleneacetaldehyde
  • NSC 171396

Systematic Names

  • 1-Naphthaleneacetaldehyde, alpha-butyl-alpha-(2-pyrrolidinoethyl)-
  • 1-Pyrrolidinebutanal, alpha-butyl-alpha-1-naphthalenyl- (9CI)

Registry Numbers

CAS Registry Number

  • 30121-15-4

System Generated Number

  • 0030121154

Structure Descriptors

InChI

1S/C22H29NO/c1-2-3-13-22(18-24,14-17-23-15-6-7-16-23)21-12-8-10-19-9-4-5-11-20(19)21/h4-5,8-12,18H,2-3,6-7,13-17H2,1H3

InChIKey

XIMOEGPVAXZFHV-UHFFFAOYSA-N

Smiles

c1(c2c(cccc2)ccc1)[C@@](CCN1CCCC1)(C=O)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 52mg/kg (52mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1089, 1970.