 Home > Encyclopedia > 1-[2-[(3S)-3-(3,4-Dichlorophenyl)-1-[2-[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-1-azoniabicyclo[2.2.2]octane

1-[2-[(3S)-3-(3,4-Dichlorophenyl)-1-[2-[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-1-azoniabicyclo[2.2.2]octane

1-[2-[(3S)-3-(3,4-Dichlorophenyl)-1-[2-[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-1-azoniabicyclo[2.2.2]octane structure

CAS No:
155418-05-6
Formula:
C37H45Cl2N2O2
Chemical Name:
1-[2-[(3S)-3-(3,4-Dichlorophenyl)-1-[2-[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-1-azoniabicyclo[2.2.2]octane
Synonyms:
1-Azoniabicyclo[2.2.2]octane,1-[2-[(3S)-3-(3,4-dichlorophenyl)-1-[2-[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-;1-Azoniabicyclo[2.2.2]octane,1-[2-[3-(3,4-dichlorophenyl)-1-[[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-,(S)-;1-Azoniabicyclo[2.2.2]octane,1-[2-[(3S)-3-(3,4-dichlorophenyl)-1-[[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-;1-[2-[(3S)-3-(3,4-Dichlorophenyl)-1-[2-[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-1-azoniabicyclo[2.2.2]octane;SR 140333;Nolpitantium

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1-[2-[(3S)-3-(3,4-Dichlorophenyl)-1-[2-[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-1-azoniabicyclo[2.2.2]octane Basic Attributes

Molecular Weight：

620.7 g/mol

Exact Mass：

619.2858091 g/mol

UNII：

NR72W2V70N

DSSTox ID：

DTXSID10165896

Characteristics

PSA：

29.5 Å²

Drug Information

MeSH Entry Terms：

1-(2-(3-(3,4-dichlorophenyl)-1-(3-isopropoxyphenylacetyl)piperidin-3-yl)ethyl)-4-phenyl-1-azabicyclo(2.2.2)octane chloride

Computed Properties

Molecular Weight:620.7
XLogP3:8.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:619.2858091
Monoisotopic Mass:619.2858091
Topological Polar Surface Area:29.5
Heavy Atom Count:43
Formal Charge:1
Complexity:913
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: 2-naphthol reacting with naoh formula; lithium nitride; sicl4; triacetin; chronic gastritis; denatonium benzoate

Guide of 1-[2-[(3S)-3-(3,4-Dichlorophenyl)-1-[2-[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-1-azoniabicyclo[2.2.2]octane

Basic Attributes
Characteristics
Drug Information
Computed Properties

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