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Substance Name: Benzeneacetic acid, 4-(2-((2-(diethylamino)ethyl)amino)-2-oxoethoxy)-, calcium salt, dihydrate
RN: 43060-56-6
InChIKey: HXZSOOZVKBBKFU-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N2-O4.Ca.2H2-O

Molecular Weight

  • 654.813
 
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Names and Synonyms

Synonym

  • 4-(2-((2-(Diethylamino)ethyl)amino)-2-oxoethoxy)benzeneacetic acid calcium salt dihydrate

Systematic Name

  • Benzeneacetic acid, 4-(2-((2-(diethylamino)ethyl)amino)-2-oxoethoxy)-, calcium salt, dihydrate

Registry Numbers

CAS Registry Number

  • 43060-56-6

System Generated Number

  • 0043060566

Molecular Formulas

Molecular Formula

  • C16-H23-N2-O4.Ca.2H2-O

Molecular Formula Fragments

  • C16-H23-N2-O4
  • Ca
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C16H24N2O4.Ca/c2*1-3-18(4-2)10-9-17-15(19)12-22-14-7-5-13(6-8-14)11-16(20)21;/h2*5-8H,3-4,9-12H2,1-2H3,(H,17,19)(H,20,21);/q;;+2/p-2

InChIKey

HXZSOOZVKBBKFU-UHFFFAOYSA-L

Smiles

[Ca+2].c1(ccc(OCC(NCCN(CC)CC)=O)cc1)CC(=O)[O-].c1(ccc(OCC(NCCN(CC)CC)=O)cc1)CC(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 100mg/kg (100mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Farmaco, Edizione Scientifica. Vol. 28, Pg. 511, 1973.
mouse LD50 oral > 300mg/kg (300mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Farmaco, Edizione Scientifica. Vol. 28, Pg. 511, 1973.