O-Desacetyl-N-desmethylDiltiazem
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O-Desacetyl-N-desmethylDiltiazem
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CAS No:
81353-09-5
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Formula:
C19H22N2O3S
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Chemical Name:
O-Desacetyl-N-desmethylDiltiazem
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Synonyms:
1,5-Benzothiazepin-4(5H)-one,2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-,cis-;CHEMBL326233;SCHEMBL5821022;CTK5E8725;AKOS030254430;3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one;FT-0665915;5-[2-(Methylamino)ethyl]-3-hydroxy-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
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CAS No:
Characteristics
87.10000
2.91140
1.239g/cm3
134-136ºC (dec.)
612ºC at 760 mmHg
323.9ºC
1.612
-20ºC Freezer, Under Inert Atmosphere
Computed Properties
Molecular Weight:358.5
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:358.13511374
Monoisotopic Mass:358.13511374
Topological Polar Surface Area:87.1
Heavy Atom Count:25
Complexity:442
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
O-Desacetyl-N-desmethylDiltiazem
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