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Substance Name: 1-Naphthaleneacetaldehyde, alpha-sec-butyl-alpha-(2-pyrrolidinoethyl)-
RN: 30121-16-5
InChIKey: QHWKDROEIYZPBH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N-O

Molecular Weight

  • 323.477
 
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Names and Synonyms

Synonym

  • alpha-sec-Butyl-alpha-(2-pyrrolidinoethyl)-1-naphthaleneacetaldehyde

Systematic Name

  • 1-Naphthaleneacetaldehyde, alpha-sec-butyl-alpha-(2-pyrrolidinoethyl)-

Registry Numbers

CAS Registry Number

  • 30121-16-5

System Generated Number

  • 0030121165

Structure Descriptors

InChI

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

InChIKey

QHWKDROEIYZPBH-UHFFFAOYSA-N

Smiles

N1(CCCC1)CC[C@@](C=O)(c1cccc2ccccc12)[C@@H](CC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 82mg/kg (82mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1089, 1970.