Venritidine
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Venritidine
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CAS No:
93064-63-2
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Formula:
C18H26N4O3S
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Chemical Name:
Venritidine
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Synonyms:
Venritidine;Venritidine [INN];(+-)-(Z)-N-Methyl-2-nitro-N"-(2-((5-((tricyclo(2.2.1.O(sup 2,6))hept-3-ylamino)methyl)furfuryl)thio)ethyl)-1,1-ethenediamine;(Z)-1-N"-[2-[[5-[[[(6S)-2,3,4,5,6,7-hexahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl]amino]methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
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CAS No:
Computed Properties
Molecular Weight:378.5
XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:378.17256188
Monoisotopic Mass:378.17256188
Topological Polar Surface Area:120
Heavy Atom Count:26
Complexity:543
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes