AG000TMF

129722-12-9 | 7-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-butoxy}-3,4-dihydro-1H-quinol in-2-one

AG000TMF

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CAS Number	129722-12-9
Catalog Number	AG000TMF(AGN-PC-00BXA4)
Chemical Name	7-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-butoxy}-3,4-dihydro-1H-quinol in-2-one
IUPAC Name	7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
InChI	InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
InChI Key	CEUORZQYGODEFX-UHFFFAOYSA-N
MDL Number	MFCD00892072
Molecular Formula	C23H27Cl2N3O2
Molecular Weight	448.3854
NSC Number	759266
SMILES	ClC1=C(C=CC=C1Cl)N1CCN(CC1)CCCCOC1=CC=C2CCC(NC2=C1)=O
UNII	82VFR53I78
Synonyms	7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butyloxy)-3,4-dihydro-2(1H)-quinolinone, Abilify, Aripiprazol, aripiprazole, OPC 14597, OPC-14597, Aripiprazole, 129722-12-9, Abilify, Abilitat, Abilify Discmelt, OPC-14597, Discmelt, Opc 14597, OPC 31, OPC-31, 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydrocarbostyril, UNII-82VFR53I78, C23H27Cl2N3O2, HSDB 7320, 7-(4-(4-(2,3-DICHLOROPHENYL)PIPERAZIN-1-YL)BUTOXY)-3,4-DIHYDROQUINOLIN-2(1H)-ONE, CHEMBL1112, 7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butyloxy)-3,4-dihydro-2(1H)-quinolinone, 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one, CHEBI:31236, CEUORZQYGODEFX-UHFFFAOYSA-N, 82VFR53I78, 7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril, 2(1H)-Quinolinone, 7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-, 7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-2(1H)-quinolinone, 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone, 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one, aripiprazol, NCGC00159510-02, CPD000466383, DSSTox_CID_26083, DSSTox_RID_81324, DSSTox_GSID_46083, Aripiprazole [USAN], aripiprazolum, Aripirazole, Abilify Maintena, 2(1H)-Quinolinone, 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-, 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, SMR000466383, Abilify (TN), Abilify Maintena Kit, CAS-129722-12-9, SR-01000759353, Aripiprex, Aripiprazole;, Abilify Digital, Abilify MyCite, Aripiprazole (JAN/USAN/INN), Aripiprazole [USAN:INN:BAN], Aripiprazole D8, 7-(4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy)-3,4-dihydrocarbostyril, 7-{4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy}-3,4-dihydrocarbostyril, Abilify OD, ALKS-9070, 7-(4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy)-3,4-dihydroquinolin-2(1H)-one, Aripiprazole Depot, aripiprazole-abilify, ACMC-20emtv, BMS-337039, KS-1030, Aripiprazole (Abilify), PubChem18143, AC1L1TXZ, GTPL34, SCHEMBL8255, MLS000759517, MLS001165779, MLS001195621, MLS001424078, MLS006011892, S06-0010, AC1Q3T38, SCHEMBL5335696, Aristada (aripiprazole lauroxil), DTXSID3046083, SCHEMBL12961254, ALKS-9072, CTK0H5518, AOB5922, HMS2051I18, HMS2089M20, HMS2093F22, HMS2230M18, HMS3373D04, HMS3393I18, HMS3657K13, HMS3715J07, Pharmakon1600-01505851, ACT03221, BCP04902, EBD20357, KS-00000XK7, ZINC1851149, Tox21_111728, AN-902, BBL029082, BDBM50130293, CA0141, DL-178, FC0025, MFCD00892072, NSC759266, s1975, STK625160, AKOS005558247, Tox21_111728_1, AB07660, AC-1554, BCP9000317, CCG-100891, CS-0766, DB01238, MCULE-4329329262, NC00141, NSC-759266, RTR-004086, Aripiprazole 1.0 mg/ml in Acetonitrile, NCGC00159510-03, NCGC00159510-04, NCGC00159510-05, AJ-32089, AK-46736, BC208491, BR-46736, HY-14546, SAM001246750, SC-16317, SY053146, SBI-0206870.P001, AB0008434, AB1006698, LS-142666, ST2412627, TL8000707, AM20090766, FT-0082572, FT-0600352, SW197521-3, TL80090184, MFCD00892072 (97%), 4811-EP2269990A1, 4811-EP2272841A1, 4811-EP2298731A1, 4811-EP2298776A1, 4811-EP2301936A1, A11801, A19454, C12564, D01164, J10066, S-4507, AB00639935-09, AB00639935_10, AB00639935_11, 722A129, L001339, J-005707, SR-01000759353-4, SR-01000759353-6, BRD-K70358946-001-06-6, Z1541632800, 7-[4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy]-3,4-dihydro-2(1H)-quinolinone, 7-[4-[4-(2,3-Dichlorophenyl)-1-Piperazinyl]Butoxy]3,4-Dihydro-2(1H)-Quinolinone, 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-quinolin-2(1H)-one, 7-{4-[-4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy}-3,4-dihydrocarbostyril, 7-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-butoxy}-3,4-dihydro-1H-quinolin-2-one, 7-{4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy}-3, 4-dihydrocarbostyril, 7-{4-[4-(2,3-dichlorophenyl)piperazino]butoxy}-3,4-dihydro-2(1H)-quinolinone, 24-29-3, 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydrocarbostyril; 7-{4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one, 9SC, Aripiprazole solution, 1.0 mg/mL (50:50 Methanol/Water with 1% 1N HCl), ampule of 1 mL, certified reference material, Aripiprazole solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material, Pripiprazole, Arpizol, Asprito, Aripiprazole-d8, Discmelt (TN), Aripiprazole hydrate, D0H3HM, D0P8CI, D0Y2GK, Otsuka brand of aripiprazole, ALKS9070/ALKS9072, CID60795, C23-H27-Cl2-N3-O2, CS-O-07237, OPC-14597; 2,3-DCPP, Bristol-Myers Squibb brand of aripiprazole, A2496, B2232, Aripiprazole/escitalopram fixed-dose combination, C094645, D000068180, Aripiprazole, 98%, a human 5-HT1A receptor partial agonist - 1g 1g, 7-{4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy}-3,4-dihydro-2(1h)-quinolinone, 1089115-04-7, 1089115-06-9,

Complexity	559
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	447.148g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	448.388g/mol
Monoisotopic Mass	447.148g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number