AG0036M7

711085-63-1 | Benzamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-4-chloro-

AG0036M7

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CAS Number	711085-63-1
Catalog Number	AG0036M7(AGN-PC-0OGYRM)
Chemical Name	Benzamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-4-chloro-
IUPAC Name	N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide
InChI	InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1
InChI Key	WECKJONDRAUFDD-ZDUSSCGKSA-N
MDL Number	MFCD08703110
Molecular Formula	C14H17ClN2O
Molecular Weight	264.7506
SMILES	O=C(c1ccc(cc1)Cl)N[C@H]1CN2CCC1CC2
UNII	27M563MU5U
Synonyms	N-((3R)-1-Azabicyclo(2.2.2)oct-3-yl)-4-chlorobenzamide hydrochloride, PNU 282987, PNU-282987, PNU282987, PNU282987, PNU 282987, 123464-89-1, 711085-63-1, PNU-282987, Benzamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-4-chloro-, UNII-27M563MU5U, CHEMBL177611, N-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-4-chlorobenzamide, 27M563MU5U, Benzamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-4-chloro-, CHEMBL554984, PNU-282,987, PNU-282987 free base, (R)-4-chloro-N-(quinuclidin-3-yl)benzamide, SCHEMBL677422, PNU282987.HCl, GTPL3988, CHEBI:92508, CTK2H4027, HMS3268J18, HMS3677E04, ZINC3990028, ABP000998, BDBM50161753, BDBM50161764, MFCD08703110, AKOS016339643, AKOS024457037, API0008100, KS-1399, KS-0000013C, NCGC00092364-01, NCGC00092364-02, NCGC00092364-03, NCGC00092364-04, NCGC00092364-05, NCGC00092364-06, BC600388, BCP0726000208, DB-074386, RT-015083, B7007, FT-0772527, (R)-4-chloro-N-(quinuclidin-8-yl)benzamide, J-004946, BRD-K28863208-001-01-2, N-(3r)-1-azabicyclo[2,2,2]oct-3-yl-4-chlorobenzamide, N-(3R)-1-Azabicyclo[2.2.2]oct-3-yl- 4-chlorobenzamide, N-(R)-1-Aza-bicyclo[2.2.2]oct-3-yl-4-chloro-benzamide, n-[(3r)-1-azabicyclo[2.2.2]oct-3-yl]-4-chlorobenzamide, N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide, N-[(3R)-1-Azabicyclo[2.2.2]octane-3-yl]-4-chlorobenzamide, N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-4-chlorobenzamide; compound with hydrochloride, D06LKM, D0Q3SL, ISIS 25302, UNII-810P1694K2, CID9795278, C498513, N-((3R)-1-Azabicyclo(2.2.2)oct-3-yl)-4-chlorobenzamide hydrochloride, N-(1-azabicyclo[2.2.2]oct-8-yl)-4-chloro-benzamide, Benzamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-4-chloro-, hydrochloride (1:1), Benzamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-4-chloro-, monohydrochloride, Benzamide, N-1-azabicyclo(2.2.2)oct-3-yl-4-chloro-, monohydrochloride, (R)-, 737727-12-7,

Complexity	307
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	264.103g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	264.753g/mol
Monoisotopic Mass	264.103g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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