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Substance Name: Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester)
RN: 100482-29-9
InChIKey: PCNNKDOJZBGEEW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-N-O4

Molecular Weight

  • 349.468
 
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Names and Synonyms

Synonyms

  • 3,5-Dipropyl-4-hydroxybenzoic acid ethyl ester diethylcarbamate (ester)
  • BRN 2600867
  • Ethyl 4-(diethylcarbamoyloxy)-3,5-dipropylbenzoate

Systematic Name

  • Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester)

Registry Numbers

CAS Registry Number

  • 100482-29-9

System Generated Number

  • 0100482299

Structure Descriptors

InChI

1S/C20H31NO4/c1-6-11-15-13-17(19(22)24-10-5)14-16(12-7-2)18(15)25-20(23)21(8-3)9-4/h13-14H,6-12H2,1-5H3

InChIKey

PCNNKDOJZBGEEW-UHFFFAOYSA-N

Smiles

c1(c(cc(C(OCC)=O)cc1CCC)CCC)OC(N(CC)CC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 770mg/kg (770mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 179, 1960.