7-beta(N-(2-Chloroethyl)-N-nitroso-N-carbonylaminoethyl)cholesterol

Base Information

• Chemical Name: 7-beta(N-(2-Chloroethyl)-N-nitroso-N-carbonylaminoethyl)cholesterol
• CAS No.: 164120-26-7
• Molecular Formula: C32H54 Cl N3 O3
• Molecular Weight: 564.24
• DSSTox Substance ID: DTXSID30936909
• Mol file: 164120-26-7.mol

Synonyms:7-beta(N-(2-Chloroethyl)-N-nitroso-N-carbonylaminoethyl)cholesterol;164120-26-7;N-(2-Chloroethyl)-N'-(2-((3-beta,7-beta)-3-hydroxycholest-5-en-7-yl)ethyl)-N-nitrosourea;Urea, N-(2-chloroethyl)-N'-(2-((3-beta,7-beta)-3-hydroxycholest-5-en-7-yl)ethyl)-N-nitroso-;1-(2-chloroethyl)-3-[2-[(3S,7R,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]ethyl]-1-nitrosourea;C32H54ClN3O3;DTXSID30936909;C32-H54-Cl-N3-O3;LS-159405;N-(2-Chloroethyl)-N'-[2-(3-hydroxycholest-5-en-7-yl)ethyl]-N-nitrosocarbamimidic acid

Chemical Property of 7-beta(N-(2-Chloroethyl)-N-nitroso-N-carbonylaminoethyl)cholesterol

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 82.00000
• Density: 1.22g/cm³
• LogP: 8.32760
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 563.3853703
• Heavy Atom Count: 39
• Complexity: 896

Purity/Quality:

98% ^*data from raw suppliers

7-BETA(N-(2-CHLOROETHYL)-N-NITROSO-N-CARBONYLAMINOETHYL)CHOLESTEROL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)CCNC(=O)N(CCCl)N=O)C
• Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)CCNC(=O)N(CCCl)N=O)C