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[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] acetate

[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] acetate structure

CAS No:
108383-95-5
Formula:
C26H28N2O4S
Chemical Name:
[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] acetate
Synonyms:
3-(acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-5-(2-(dimethylamino)ethyl)naphtho(1,2-b)1,4-thiazepin-4(5H)-one;naltiazem;Naltiazem;108383-95-5;(2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydronaphtho[1,2-b][1,4]thiazepin-3-yl acetate;SCHEMBL7346967;DTXSID10910707;3-(Acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-5-(2-(dimethylamino)ethyl)naphtho(1,2-b)1,4-thiazepin-4(5H)-one;(+)-cis-3-(acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-5-[2-(dimethylamino)ethyl]naphtho[1,2-b]-1,4-thiazepin-4(5H)-one;(+/-)-cis-3-(acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-5-[2-(dimethylamino)ethyl]-naphtho[1,2-b]-1,4-thiazepin-4(5H)-one;(-)-cis-3-(acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-5-[2-(dimethylamino)ethyl]naphtho[1,2-b]-1,4-thiazepin-4(5H)-one;[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] acetate;5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydronaphtho[1,2-b][1,4]thiazepin-3-yl acetate;Naphtho(1,2-b)(1,4)thiazepin-4(5H)-one, 3-(acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-, cis-(+)-

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[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] acetate Basic Attributes

Molecular Weight：

464.6 g/mol

Exact Mass：

464.17697855 g/mol

Characteristics

PSA：

84.4 Å²

Drug Information

MeSH Entry Terms：

3-(acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-5-(2-(dimethylamino)ethyl)naphtho(1,2-b)1,4-thiazepin-4(5H)-one

Computed Properties

Molecular Weight:464.6
XLogP3:4.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:464.17697855
Monoisotopic Mass:464.17697855
Topological Polar Surface Area:84.4
Heavy Atom Count:33
Complexity:681
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] acetate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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