 Home > Encyclopedia > 7-[(1S,4S,6R,10R)-7-hydroxy-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-8-en-6-yl]heptyl (1S)-10-heptyl-6-methyl-7,9-diaza-12-azoniatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-5-carboxylate

7-[(1S,4S,6R,10R)-7-hydroxy-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-8-en-6-yl]heptyl (1S)-10-heptyl-6-methyl-7,9-diaza-12-azoniatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-5-carboxylate

7-[(1S,4S,6R,10R)-7-hydroxy-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-8-en-6-yl]heptyl (1S)-10-heptyl-6-methyl-7,9-diaza-12-azoniatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-5-carboxylate structure

CAS No:
188112-86-9
Formula:
C35H57N6O3+
Chemical Name:
7-[(1S,4S,6R,10R)-7-hydroxy-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-8-en-6-yl]heptyl (1S)-10-heptyl-6-methyl-7,9-diaza-12-azoniatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-5-carboxylate
Synonyms:
Batzelladine I;188112-86-9;(2aS)-8-(((7-((2aS,4R,7R,8aS)-5-Hydroxy-7-methyl-2,2a,3,4,5,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylen-4-yl)heptyl)oxy)carbonyl)-4-heptyl-7-methyl-1,2,2a,3,4,5-hexahydro-5,6-diaza-8b-azoniaacenaphthylene;(2aS)-8-[({7-[(2aS,4R,7R,8aS)-5-Hydroxy-7-methyl-2,2a,3,4,5,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylen-4-yl]heptyl}oxy)carbonyl]-4-heptyl-7-methyl-1,2,2a,3,4,5-hexahydro-5,6-diaza-8b-azoniaacenaphthylene

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7-[(1S,4S,6R,10R)-7-hydroxy-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-8-en-6-yl]heptyl (1S)-10-heptyl-6-methyl-7,9-diaza-12-azoniatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-5-carboxylate Basic Attributes

Molecular Weight：

609.9 g/mol

Exact Mass：

609.44921470 g/mol

Characteristics

PSA：

94.2 Å²

Computed Properties

Molecular Weight:609.9
XLogP3:7.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:16
Exact Mass:609.44921470
Monoisotopic Mass:609.44921470
Topological Polar Surface Area:94.2
Heavy Atom Count:44
Formal Charge:1
Complexity:980
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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7-[(1S,4S,6R,10R)-9-hydroxy-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]heptyl (1S)-10-heptyl-6-methyl-7,9-diaza-12-azoniatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-5-carboxylate

188112-85-8

Hot Searches: basal ganglia calcification; nasal calcium; n2o5; denatonium benzoate; sds for hexanes; acetate formula

Guide of 7-[(1S,4S,6R,10R)-7-hydroxy-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-8-en-6-yl]heptyl (1S)-10-heptyl-6-methyl-7,9-diaza-12-azoniatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-5-carboxylate

Basic Attributes
Characteristics
Computed Properties
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