AG001U71

163521-12-8 | 2-Benzofurancarboxamide, 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-

AG001U71

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CAS Number	163521-12-8
Catalog Number	AG001U71(AGN-PC-0Q8G30)
Chemical Name	2-Benzofurancarboxamide, 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-
IUPAC Name	5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
InChI	InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
InChI Key	SGEGOXDYSFKCPT-UHFFFAOYSA-N
MDL Number	MFCD09838919
Molecular Formula	C26H27N5O2
Molecular Weight	441.5249
SMILES	O=C(C1=CC2=CC(N3CCN(CCCCC4=CNC5=C4C=C(C#N)C=C5)CC3)=CC=C2O1)N
UNII	S239O2OOV3
Synonyms	2-benzofurancarboxamide, 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)-1-piperazinyl)-, hydrochloride (1:1), 5-(4-(4-(5-cyano-3-indolyl)butyl)-1-piperazinyl)benzofuran-2-carboxamide, 68843, EMD, EMB 68843, EMB-68843, EMB68843, EMD 68843, HCl, Vilazodone, Hydrochloride, Vilazodone, Viibryd, vilazodone, Vilazodone HCl, vilazodone hydrochloride, Vilazodone, 163521-12-8, 5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxamide, UNII-S239O2OOV3, EMD 515259, CHEMBL439849, S239O2OOV3, CHEBI:70707, 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide, EMD-515259, EMD-68843, 5-[4-[4-(5-Cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-2-benzofurancarboxamide, 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzofuran-2-carboxamide, 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide, EMD-68-843, SB-659746-A, Vilazodone [USAN:INN], vilazodona, vilazodonum, HSDB 8197, AC1OCFA2, Vilazodone (USAN/INN), SCHEMBL650682, GTPL7427, yl}-1-benzofuran-2-carboxamide, CTK8C0046, EX-A174, QCR-275, SGEGOXDYSFKCPT-UHFFFAOYSA-N, BCP05225, ZINC1542113, AN-489, ANW-63936, BDBM50151982, MFCD09838919, 1-[4-(5-cyanoindol-3-yl)butyl]-4-(2-carbamoylbenzofuran-5-yl)piperazine, AKOS015924744, API0008118, CS-0550, DB06684, PB25213, SB20296, 2-BENZOFURANCARBOXAMIDE, 5-[4-[4-(5-CYANO-1H-INDOL-3-YL)BUTYL]-1-PIPERAZINYL]-, NCGC00371130-06, 4CA-1322, AC-25886, AJ-26849, AK-61011, BC203239, HY-14262, AB0044260, AX8156424, TC-152681, FT-0675813, ST24044194, Y1282, D09698, Q-4354, AB01563299_01, L001518, 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-, F0001-2418, 1-[4-(5-cyanoindol-3-yl)butyl]4-(2-carbamoyl-benzofuran-5-yl)-piperazine, 5-(4-(4-(5-Cyanoindol-3-yl)butyl)-1-piperazinyl)-2-benzofurancarboxamide, 5-{4-[4-(5-cyano-3-indolyl)butyl]-1-piperazinyl}benzo-furan-2-carboxamide, 1-[4-(5-cyanoindol-3-yl)butyl]-4-(2-carbamoyl-benzofuran-5-yl)-piperazine, 5 -(4-(4-(5 -Cyano-1H-indol-3 -yl)butyl)piperazin-1 -yl)benzofuran-2-carboxamide, 5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzofuran-2-carboxylic acid amide, Viibryd, Vilazodone HCl, Vilazodone [INN], Vilazodone D8, Vilazodone (TN), Vilazodone hydrochloride, D0X6BV, C26H28ClN5O2, cc-127, EMD 68843, SB659746A, ACN-028796, CID6918314, CS-O-11768, SB 659746A, SB-659746A, 3088B, A3918, A11116, 163521-08-2, 183288-46-2,

Complexity	729
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	441.216g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	441.535g/mol
Monoisotopic Mass	441.216g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number