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42794-63-8

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Basic Information
CAS No.: 42794-63-8
Name: MK 142
Molecular Structure:
Molecular Structure of 42794-63-8 (MK 142)
Formula: C22H32N2O6•2CH4O3S
Molecular Weight: 612.78
Synonyms: 2-Propanol,1,1'-(1,2-ethanediyldiimino)bis[3- (4-methoxyphenoxy)-,dimethanesulfonate (salt);MK 142;N,N′-DI(3-(p-METHOXYPHENOXY)-2-HYDROXY-PROPYL)ETHYLENEDIAMINE DIMETHANESULPHOANTE;1,1′-(1,2-ETHANEDIYLDIIMINO)BIS(3-(4-METHOXYPHENOXY)-2-PROPANOL, DIMETHANESULFONATE (salt);
Boiling Point: 611.9oC at 760 mmHg
Flash Point: 323.8oC
Safety: Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and SOx. See also SULFONATES.
PSA: 226.94000
LogP: 3.01400
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    MK-142 dimethanesulfonate

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Chemistry

Molecule structure of MK-142 dimethanesulfonate (CAS NO.42794-63-8):

IUPAC Name: 1-[2-[[2-Hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethylamino]-3-(4-methoxyphenoxy)propan-2-ol; methanesulfonic acid 
Molecular Weight: 612.7106 g/mol
Molecular Formula: C24H40N2O12S2 
Boiling Point: 611.9 °C at 760 mmHg
Flash Point: 323.8 °C
Enthalpy of Vaporization: 95.51 kJ/mol
Vapour Pressure: 7.95E-16 mmHg at 25 °C
H-Bond Donor: 6
H-Bond Acceptor: 14
Rotatable Bond Count: 15
Exact Mass: 612.202266
MonoIsotopic Mass: 612.202266
Topological Polar Surface Area: 210
Heavy Atom Count: 40
Complexity: 469
Canonical SMILES: COC1=CC=C(C=C1)OCC(CNCCNCC(COC2=CC=C(C=C2)OC)O)O.CS(=O)(=O)O.CS(=O)(=O)O
InChI: InChI=1S/C22H32N2O6.2CH4O3S/c1-27-19-3-7-21(8-4-19)29-15-17(25)13-23-11-12-24-14-18(26)16-30-22-9-5-20(28-2)6-10-22;2*1-5(2,3)4/h3-10,17-18,23-26H,11-16H2,1-2H3;2*1H3,(H,2,3,4)
InChIKey of MK-142 dimethanesulfonate (CAS NO.42794-63-8): PFNKIWCEAJHBPA-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:3100 mg/kg

     MMDPA6    Materia Medica Polona (English Edition). 9 (1977),216.
2.    

orl-mus LD50:1570 mg/kg

     PJPPAA    Polish Journal of Pharmacology and Pharmacy. 27 (1975),365.
3.    

ivn-mus LD50:135 mg/kg

     PJPPAA    Polish Journal of Pharmacology and Pharmacy. 27 (1975),365.

Safety Profile

Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and SOx. See also SULFONATES.

Specification

 MK-142 dimethanesulfonate (CAS NO.42794-63-8) is also named as MK 142 ; N,N'-Di(3-(p-methoxyphenoxy)-2-
hydroxypropyl)ethylenediamine dimethanesulphonate ; 1,1'-(1,2-Ethanediyldiimino)bis(3-(4-methoxyphenoxy)-2-propanol), dimethanesulfonate (salt) ; 2-Propanol, 1,1'-(1,2-ethanediyldiimino)bis(3-(4-methoxyphenoxy)-, dimethanesulfonate (salt) .