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Misuran

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Name

Misuran

EINECS N/A
CAS No. 115-79-7 Density g/cm3
PSA 58.20000 LogP -0.57100
Solubility N/A Melting Point 196-199°
Formula C28H42 Cl2 N4 O2 . 2 Cl Boiling Point °Cat760mmHg
Molecular Weight 608.54 Flash Point °C
Transport Information N/A Appearance N/A
Safety Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of Cl, NH3, and NOx. See also CHLORIDES. Risk Codes 28
Molecular Structure Molecular Structure of 115-79-7 (ambenonium chloride) Hazard Symbols T+
Synonyms

Ammonium,[oxalylbis(iminoethylene)]bis[(o-chlorobenzyl)diethyl-, dichloride (8CI);Benzenemethanaminium,N,N'-[(1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl)]bis[2-chloro-N,N-diethyl-,dichloride (9CI); [Oxalylbis(iminoethylene)]bis[(o-chlorobenzyl)diethylammoniumchloride] (6CI,7CI); Ambenonium chloride; Ambenonium dichloride; Ambestigminchloride; Misuran; Mysuran; Mysuran chloride; Mytelase; Mytelase chloride;N,N'-Bis-(2-diethylaminoethyl)oxamide bis-2-chlorobenzylchloride;N,N'-Bis-2-[(2-chlorobenzyl)diethylammonium chloride]-ethyloxamide; Oxamizil;Oxazil; Oxazyl; Win 8077

 

Misuran Chemical Properties

Molecule structure of Misuran (CAS NO.115-79-7) :

IUPAC Name: (2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-diethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-diethylazanium dichloride 
Molecular Weight: 608.47068 g/mol
Molecular Formula: C28H42Cl4N4O2 
Melting Point: 197.5 deg C 
log P (octanol-water): -2.640
Water Solubility: 1.00E+06 mg/L 
Atmospheric OH Rate Constant 9.79E-11 cm3/molecule-sec
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 14
Tautomer Count: 3
Exact Mass: 608.203237
MonoIsotopic Mass: 606.206187
Topological Polar Surface Area: 58.2
Heavy Atom Count: 38
Complexity: 614
Canonical SMILES: CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl.
[Cl-].[Cl-]
InChI: InChI=1S/C28H40Cl2N4O2.2ClH/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30;;/h9-16H,5-8,17-22H2,1-4H3;2*1H
InChIKey: DXUUXWKFVDVHIK-UHFFFAOYSA-N
EINECS of Misuran (CAS NO.115-79-7) : 204-107-5

Misuran Toxicity Data With Reference

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.

Misuran Safety Profile

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

Misuran 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 .

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