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Substance Name: 2-Propanol, 1,1'-(1,2-ethanediyldiimino)bis(3-(3-chlorophenoxy)-, dimethanesulfonate (salt)
RN: 55011-97-7
InChIKey: CDFKCKUONRRKJD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-Cl2-N2-O4.2C-H4-O3-S

Molecular Weight

  • 621.5526
 
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Names and Synonyms

Synonyms

  • N,N'-Bis-(3-(m-chlorophenoxy)-2-hydroxypropyl)ethylenediamine dimethanesulfonate
  • ROM 131

Systematic Name

  • 2-Propanol, 1,1'-(1,2-ethanediyldiimino)bis(3-(3-chlorophenoxy)-, dimethanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 55011-97-7

System Generated Number

  • 0055011977

Molecular Formulas

Molecular Formula

  • C20-H26-Cl2-N2-O4.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C20-H26-Cl2-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26Cl2N2O4.2CH4O3S/c21-15-3-1-5-19(9-15)27-13-17(25)11-23-7-8-24-12-18(26)14-28-20-6-2-4-16(22)10-20;2*1-5(2,3)4/h1-6,9-10,17-18,23-26H,7-8,11-14H2;2*1H3,(H,2,3,4)

InChIKey

CDFKCKUONRRKJD-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.c1cc(cc(c1)Cl)OCC(CNCCNCC(COc2cccc(c2)Cl)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 72mg/kg (72mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 27, Pg. 365, 1975.
mouse LD50 oral 720mg/kg (720mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 27, Pg. 365, 1975.