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Substance Name: 1-Naphthaleneacetaldehyde, alpha-isopropyl-alpha-(2-pyrrolidinoethyl)-
RN: 30121-14-3
InChIKey: JSDHUCGBCRATIP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N-O

Molecular Weight

  • 309.45
 
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Names and Synonyms

Synonym

  • alpha-Isopropyl-alpha-(2-pyrrolidinoethyl)-1-naphthaleneacetaldehyde

Systematic Name

  • 1-Naphthaleneacetaldehyde, alpha-isopropyl-alpha-(2-pyrrolidinoethyl)-

Registry Numbers

CAS Registry Number

  • 30121-14-3

System Generated Number

  • 0030121143

Structure Descriptors

InChI

1S/C21H27NO/c1-17(2)21(16-23,12-15-22-13-5-6-14-22)20-11-7-9-18-8-3-4-10-19(18)20/h3-4,7-11,16-17H,5-6,12-15H2,1-2H3

InChIKey

JSDHUCGBCRATIP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 95mg/kg (95mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1089, 1970.