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Substance Name: Hexadecanoic acid, 1,4-butanediyl ester (9CI)
RN: 26719-63-1
InChIKey: UXPYIAWFQKSHNV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H70-O4

Molecular Weight

  • 566.945
 
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Names and Synonyms

Synonyms

  • 1,4-Butanediol dipalmitate
  • 3-02-00-00964 (Beilstein Handbook Reference)
  • AI3-31698
  • BRN 1809598
  • Di-O-palmitoylbutane-1,4-diol

Systematic Names

  • Hexadecanoic acid, 1,4-butanediyl ester (9CI)
  • Palmitic acid, tetramethylene ester

Registry Numbers

CAS Registry Number

  • 26719-63-1

System Generated Number

  • 0026719631

Structure Descriptors

InChI

1S/C36H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35(37)39-33-29-30-34-40-36(38)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3

InChIKey

UXPYIAWFQKSHNV-UHFFFAOYSA-N

Smiles

C(OCCCCOC(CCCCCCCCCCCCCCC)=O)(CCCCCCCCCCCCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3gm/kg (3000mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 182, 1985.