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Substance Name: Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester
RN: 130421-68-0
InChIKey: DMQDYOURJHSXEI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H37-N-O3

Molecular Weight

  • 387.5603
 
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Names and Synonyms

Synonyms

  • 4-(Dihexylamino)-2-butynyl 2-methoxybenzoate
  • BRN 4758018

Systematic Name

  • Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester

Registry Numbers

CAS Registry Number

  • 130421-68-0

System Generated Number

  • 0130421680

Structure Descriptors

InChI

1S/C24H37NO3/c1-4-6-8-12-18-25(19-13-9-7-5-2)20-14-15-21-28-24(26)22-16-10-11-17-23(22)27-3/h10-11,16-17H,4-9,12-13,18-21H2,1-3H3

InChIKey

DMQDYOURJHSXEI-UHFFFAOYSA-N

Smiles

CCCCCCN(CCCCCC)CC#CCOC(=O)c1ccccc1OC

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.