6-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzothiepine-5-carbonitrile;2-hydroxy-2-oxoacetate
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6-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzothiepine-5-carbonitrile;2-hydroxy-2-oxoacetate
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CAS No:
87033-51-0
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Formula:
C22H23N2O4S-
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Chemical Name:
6-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzothiepine-5-carbonitrile;2-hydroxy-2-oxoacetate
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Synonyms:
cis-11-(3-Dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-10-carbonitrile oxalate;Dibenzo(b,f)thiepin-10-carbonitrile, 10,11-dihydro-11-(3-(dimethylamino)propyl)-, cis-, ethanedioate (1:1);87033-51-0
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CAS No:
6-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzothiepine-5-carbonitrile;2-hydroxy-2-oxoacetate Basic Attributes
411.5 g/mol
411.13785339 g/mol
Computed Properties
Molecular Weight:411.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:411.13785339
Monoisotopic Mass:411.13785339
Topological Polar Surface Area:130
Heavy Atom Count:29
Formal Charge:-1
Complexity:505
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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