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Substance Name: Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester
RN: 97209-92-2
InChIKey: YXZNZYJRWIXIJH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H50-O10

Molecular Weight

  • 606.748
 
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Names and Synonyms

Synonyms

  • 3,4,5-Tris(acetyloxy)benzoic acid 4-((1-oxohexadecyl)oxo)butyl ester
  • BRN 5684969
  • O-Palmitoyl-O-(3,4,5-triacetoxybenzoyl)butane-1,4-diol

Systematic Name

  • Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester

Registry Numbers

CAS Registry Number

  • 97209-92-2

System Generated Number

  • 0097209922

Structure Descriptors

InChI

1S/C33H50O10/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31(37)39-21-18-19-22-40-33(38)28-23-29(41-25(2)34)32(43-27(4)36)30(24-28)42-26(3)35/h23-24H,5-22H2,1-4H3

InChIKey

YXZNZYJRWIXIJH-UHFFFAOYSA-N

Smiles

c1(c(c(cc(c1)C(OCCCCOC(CCCCCCCCCCCCCCC)=O)=O)OC(C)=O)OC(C)=O)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 182, 1985.