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Substance Name: 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester)
RN: 130421-62-4
InChIKey: VIBAYVWTYWMOOS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H43-N-O2

Molecular Weight

  • 413.6417
 
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Names and Synonyms

Synonyms

  • 4-(Dioctylamino)-2-butyn-1-ol benzoate (ester)
  • BRN 4759025

Systematic Name

  • 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester)

Registry Numbers

CAS Registry Number

  • 130421-62-4

System Generated Number

  • 0130421624

Structure Descriptors

InChI

1S/C27H43NO2/c1-3-5-7-9-11-16-22-28(23-17-12-10-8-6-4-2)24-18-19-25-30-27(29)26-20-14-13-15-21-26/h13-15,20-21H,3-12,16-17,22-25H2,1-2H3

InChIKey

VIBAYVWTYWMOOS-UHFFFAOYSA-N

Smiles

CCCCCCCCN(CCCCCCCC)CC#CCOC(=O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 24, Pg. 560, 1990.