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1-azabicyclo[2.2.2]octan-3-yl benzoate

1-azabicyclo[2.2.2]octan-3-yl benzoate structure

CAS No:
16852-81-6
Formula:
C14H17NO2
Chemical Name:
1-azabicyclo[2.2.2]octan-3-yl benzoate
Synonyms:
benzoclidine;benzoclidine hydrochloride;benzoclidine, (+-)-isomer;oxilidine;oxylidin;Benzoclidine;quinuclidin-3-yl benzoate;16852-81-6;Oxylidine;1-azabicyclo[2.2.2]octan-3-yl benzoate;CHEMBL121932;3-Quinuclidinol benzoate (ester);NCGC00160497-01;Benzoclidina;Benzoclidinum;SMR000567284;Benzoclidine [INN];3alpha-Chinuclidinylbenzoat;Benzoclidinum [INN-Latin];Benzoclidina [INN-Spanish];3-quinuclidinol benzoate;1-Azabicyclo(2.2.2)oct-3alpha-yl benzoat;Maybridge3_000843;DSSTox_CID_26191;DSSTox_RID_81422;DSSTox_GSID_46191;Oprea1_312548;MLS001181615;MLS006011686;SCHEMBL342347;DTXSID0046191;(+/-)-3-Quinuclidinol benzoate;HMS1433G07;HMS2861C05;HMS3264A17;Pharmakon1600-01506155;CS-M0879;Tox21_111856;3478AH;BDBM50149139;NSC760346;STK709010;AKOS005522431;AKOS015969731;CCG-214011;MCULE-9228768203;NSC 760346;NSC-760346;IDI1_012230;1-azabicyclo[2.2.2]oct-3-yl benzoate;CS-17016;CAS-16852-81-6;DB-082765;FT-0772976;AB00831690_06;SR-01000789370;Benzoic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester;Q4083795;SR-01000789370-2;(?)-Benzoic acid 1-azabicyclo[2.2.2]octan-3-yl ester

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1-azabicyclo[2.2.2]octan-3-yl benzoate Basic Attributes

Molecular Weight：

231.29 g/mol

Exact Mass：

231.125928785 g/mol

NSC Number：

760346

DSSTox ID：

DTXSID0046191

Characteristics

PSA：

29.5 Å²

Water Solubility：

31.5 [ug/mL]

Drug Information

MeSH Entry Terms：

benzoclidine

Computed Properties

Molecular Weight:231.29
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:231.125928785
Monoisotopic Mass:231.125928785
Topological Polar Surface Area:29.5
Heavy Atom Count:17
Complexity:278
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-azabicyclo[2.2.2]octan-3-yl benzoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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