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Substance Name: Dichloromannitol
RN: 7251-85-6
UNII: XXN9QHY331
InChIKey: VSYOJRJNYPFTHS-KVTDHHQDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H12-Cl2-O4

Molecular Weight

  • 219.0628
 
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Names and Synonyms

Results Name

  • Dichloromannitol

Name of Substance

  • 1,6-Dichloro-1,6-dideoxymannitol, D-

Synonyms

  • 1,6-Dichloro-1,6-dideoxymannitol
  • 1,6-Dichloro-1,6-didesoxy-D-mannitol
  • Dichloromannitol
  • NSC 20665
  • UNII-XXN9QHY331

Systematic Names

  • D-Mannitol, 1,6-dichloro-1,6-dideoxy- (9CI)
  • Mannitol, 1,6-dichloro-1,6-dideoxy-, (D)-

Registry Numbers

CAS Registry Number

  • 7251-85-6

FDA UNII

  • XXN9QHY331

System Generated Number

  • 0007251856

Structure Descriptors

InChI

1S/C6H12Cl2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4-,5-,6-/m1/s1

InChIKey

VSYOJRJNYPFTHS-KVTDHHQDSA-N

Smiles

O[C@H](CCl)[C@@H](O)[C@H](O)[C@H](O)CCl

Toxicity

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.760 (none)   EST
Water Solubility 4.54E+04 mg/L 14 EXP
Atmospheric OH Rate Constant 2.80E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.