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Substance Name: D-Mannitol, 1,6-dibenzoate
RN: 7226-27-9
InChIKey: LDFVROHMRYBVGB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-O8

Molecular Weight

  • 390.386
 
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Names and Synonyms

Synonyms

  • 1,6-Dibenzoyl-D-mannitol
  • NSC 113463

Systematic Name

  • D-Mannitol, 1,6-dibenzoate

Registry Numbers

CAS Registry Number

  • 7226-27-9

System Generated Number

  • 0007226279

Structure Descriptors

InChI

1S/C20H22O8/c21-15(11-27-19(25)13-7-3-1-4-8-13)17(23)18(24)16(22)12-28-20(26)14-9-5-2-6-10-14/h1-10,15-18,21-24H,11-12H2

InChIKey

LDFVROHMRYBVGB-UHFFFAOYSA-N

Smiles

c1(C(OC[C@@H]([C@@H]([C@@H]([C@@H](COC(c2ccccc2)=O)O)O)O)O)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500mg/kg (1500mg/kg)   Neoplasma. Vol. 17, Pg. 15, 1970.