AG00DBAP

460746-46-7 | (R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofuran-5-yl)benzonitrile

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CAS Number	460746-46-7
Catalog Number	AG00DBAP(AGN-PC-0OAJ86)
Chemical Name	(R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofuran-5-yl)benzonitrile
IUPAC Name	4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile
InChI	InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1
InChI Key	KFHYZKCRXNRKRC-MRXNPFEDSA-N
MDL Number	MFCD13248643
Molecular Formula	C22H22N2O
Molecular Weight	330.4229
SMILES	N#CC1=CC=C(C2=CC=C(OC(CCN3[C@H](C)CCC3)=C4)C4=C2)C=C1
UNII	86H6B395PI
Synonyms	(R)-4-(2-(2-(2-methyl-1-pyrrolidinyl)ethyl)-1-benzofuran-5-yl)benzonitrile, 4-(2-(2-(2-methyl-1-pyrrolidinyl)ethyl)-1-benzofuran-5-yl)benzonitrile, ABT 239, ABT-239, ABT239, benzonitrile, 4-(2-(2-((2r)-2-methyl-1-pyrrolidinyl)ethyl)-5-benzofuranyl)-, ABT-239, 460746-46-7, (R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofuran-5-yl)benzonitrile, ABT 239, UNII-86H6B395PI, CHEMBL351231, 86H6B395PI, (R)-4-(2-(2-(2-Methylpyrrolidin-1-yl)-ethyl)benzofuran-5-yl)benzonitrile, C22H22N2O, benzonitrile, 4-(2-(2-((2r)-2-methyl-1-pyrrolidinyl)ethyl)-5-benzofuranyl)-, BENZONITRILE, 4-[2-[2-[(2R)-2-METHYL-1-PYRROLIDINYL]ETHYL]-5-BENZOFURANYL]-, ABT239, (R)-4-[2-[2-(2-Methylpyrrolidin-1-yl)ethyl]benzofuran-5-yl]benzonitrile, 4-(2-{2-[(2R)-2-methylpyrrolidin-1-yl]ethyl}-1-benzofuran-5-yl)benzonitrile, 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile, (R)-4-(2-(2-(2-methyl-1-pyrrolidinyl)ethyl)-1-benzofuran-5-yl)benzonitrile, SCHEMBL118976, GTPL1218, CTK1D2036, DTXSID00196710, KFHYZKCRXNRKRC-MRXNPFEDSA-N, ZINC3818809, 6337AB, ANW-59324, BDBM50139391, AKOS015891396, CM-1552, CS-5904, MB13519, NCGC00386570-01, AK-38576, HY-12195, AX8163284, TC-148069, FT-0771969, Q4650421, (R)-4-(2-(2-(2-methylpyrrolidinyl)ethyl)benzo[b]furan-5-yl)benzonitrile, 4-(2-{2-[(2r)-2-methylpyrrolidinyl]ethyl}-1-benzofuran-5-yl)benzonitrile, 4-(2-{2-[(2R)-2-methylpyrrolidinyl]ethyl}-benzofuran-5-yl)benzonitrile, 4-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)benzonitrile, 4-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-benzonitrile, D04LSD, AN-3786, CID9818903, AJ-45725, C496397, I01-9449, 4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]benzofuran-5-yl]benzonitrile, 4-(2-(2-(2-Methyl-1-pyrrolidinyl)ethyl)-1-benzofuran-5-yl)benzonitrile, 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]benzofuran-5-yl]benzonitrile, 460748-71-4,

Complexity	490
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	330.173213g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	330.4g/mol
Monoisotopic Mass	330.173213g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	40.2Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number