Chlornaltrexamine dihydrochloride

Base Information

• Chemical Name: Chlornaltrexamine dihydrochloride
• CAS No.: 67025-98-3
• Molecular Formula: C24H34Cl4N2O3
• Molecular Weight: 540.3504
• DSSTox Substance ID: DTXSID50985878
• Mol file: 67025-98-3.mol

Synonyms:Chlornaltrexamine dihydrochloride;67025-98-3;beta-Chlornaltrexamine dihydrochloride;(4R,4aS,7R,7aR,12bS)-7-[bis(2-chloroethyl)amino]-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol;dihydrochloride;Morphinan-3,14-diol, 6-(bis(2-chloroethyl)amino)-17-(cyclopropylmethyl)-4,5-epoxy-, dihydrochloride, (5-alpha,6-beta)-;C24H32Cl2N2O3.2ClH;C24-H32-Cl2-N2-O3.2Cl-H;chlornaltrexamine hydrochloride;C24H32Cl2N2O3.2HCl;DTXSID50985878;LS-91728;beta-Chlornaltrexamine dihydrochloride, solid;6-[Bis(2-chloroethyl)amino]-17-(cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol--hydrogen chloride (1/2);Morphinan-3,14-diol, 6-(bis(2-chloroethyl)amino)-17-(cyclopropylmethyl)-4,5-epoxy-,dihydrochloride, (5-alpha,6-beta)-

Chemical Property of Chlornaltrexamine dihydrochloride

Chemical Property:

• Vapor Pressure: 3.94E-16mmHg at 25°C
• Boiling Point: 618°C at 760 mmHg
• Flash Point: 327.5°C
• PSA: 56.17000
• LogP: 4.64640
• Storage Temp.: −20°C
• Solubility.: H2O: use aqueous solutions immediately.soluble
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 540.129404
• Heavy Atom Count: 33
• Complexity: 690

Purity/Quality:

97% ^*data from raw suppliers

β-Chlornaltrexamine dihydrochloride solid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC1CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)N(CCCl)CCCl.Cl.Cl
• Isomeric SMILES: C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@@H]1N(CCCl)CCCl)OC5=C(C=C4)O)O.Cl.Cl