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Home> Hot Product Listed 2   > 2,2'-[(1,2-Dioxo-1,2-ethanediyl)diimino]bis[N-(2-chlorobenzyl)-N, N-diethylethanaminium] dichloride
1169806-00-1 structure

2,2'-[(1,2-Dioxo-1,2-ethanediyl)diimino]bis[N-(2-chlorobenzyl)-N, N-diethylethanaminium] dichloride

CAS No.:1169806-00-1
EINECS(EC#): 255-861-7
Molecular Weight:440.624
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C28H40O4/c1-25(2)12-7-13-26(3)21-11-10-20-16-27(21,23(29)15-22(25)26)17-28(20,31)18-32-24(30)14-19-8-5-4-6-9-19/h4-6,8-9,20-23,29,31H,7,10-18H2,1-3H3/t20-,21+,22-,23+,26+,27-,28+/m1/s1
InChkey
RQZFFMTZMGJLHA-ZXUQJNMHSA-N
Canonical Smiles
CC1(CCCC2(C1CC(C34C2CCC(C3)C(C4)(COC(=O)CC5=CC=CC=C5)O)O)C)C
Properties
Boiling Point
258.9°C at 760 mmHg
Flash Point
150.3°C
Safety and Handling
Safety

Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of Cl, NH3, and NOx. See also CHLORIDES.

Toxicity
1.    

orl-rat LD50:18,500 µg/kg

    NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),132.
2.    

scu-rat LD50:4500 µg/kg

    NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),132.
3.    

ivn-rat LD50:2720 µg/kg

    NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),132.
4.    

orl-mus LD50:145 mg/kg

    NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),132.
5.    

scu-mus LD50:3700 µg/kg

    NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),132.
6.    

ivn-mus LD50:1510 µg/kg

    NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),132.
Specification

 Misuran (CAS NO.115-79-7) is also called (Oxalylbis(iminoethylen))bis(2-chlorbenzyl)diethylammonium chlorid) ; (Oxalylbis(iminoethylene))bis((o-chlorobenzyl)diethylammonium) dichloride ; AI3-22370 ; Ambenonii chloridum ; Ambenonium chloride ; Ambestigmin chloride ; Benzenemethanaminium, N,N'-((1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-
ethanediyl))bis(2-chloro-N,N-diethyl-, dichloride ; Chlorure d'ambenonium [INN-French] ; Cloruro de ambenonio [INN-Spanish] ; Mytelase ; N,N'-Bis(2-diethylaminoethyl)oxamid bis-2-chlorbenzyl chlorid ; N,N'-Bis(2-diethylaminoethyl)oxamide bis(2-chlorobenzyl chloride) ; Oksazil ; Oxamizil ; Oxazylum ; UNII-51FOB87G3I ; Win 8077 .

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:440.624g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:440.293
  • Monoisotopic Mass:440.293
  • Complexity:727
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:66.8A^2
  • Heavy Atom Count:32
  • Defined Atom Stereocenter Count:7
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAwYMGABgAAAADBAAAAGgAACAAAD1SgmAIyCIAABgCI AiDSCAACAAAgAAAIiAEAAIgJMDKAFRCCYAAkwAELiAfI6PyPgAAAAAAAAADAAAYAADAAAYAADAAA AA==
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