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Substance Name: 1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1)
RN: 63834-76-4
InChIKey: XWNLXQLPBDJQAN-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H32-O4.Ca-Cl2

Molecular Weight

  • 375.387
 
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Names and Synonyms

Synonyms

  • 2,2-Diethyl-1,3-propanediol calcium chloride (2:1)
  • MC 2778

Systematic Name

  • 1,3-Propanediol, 2,2-diethyl-, calcium chloride (2:1)

Registry Numbers

CAS Registry Number

  • 63834-76-4

System Generated Number

  • 0063834764

Molecular Formulas

Molecular Formula

  • C14-H32-O4.Ca-Cl2

Molecular Formula Fragments

  • C14-H32-O4
  • Ca-Cl2
  • COMPONENT

Structure Descriptors

InChI

1S/2C7H16O2.Ca.2ClH/c2*1-3-7(4-2,5-8)6-9;;;/h2*8-9H,3-6H2,1-2H3;;2*1H/q;;+2;;/p-2

InChIKey

XWNLXQLPBDJQAN-UHFFFAOYSA-L

Smiles

C(CC)(CC)(CO)CO.[Ca+2].[ClH-].[ClH-].C(CC)(CO)(CO)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 939mg/kg (939mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 43, Pg. 547, 1954.