AG00AQLK

Name: Aripiprazole Dimer
Brand: Angene Chemical
SKU: AG00AQLK

1797986-18-5 | Aripiprazole Dimer

AG00AQLK

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CAS Number	1797986-18-5
Catalog Number	AG00AQLK(AGN-PC-0WBNG2)
Chemical Name	Aripiprazole Dimer
IUPAC Name	7-[4-[4-[2,3-dichloro-4-[1-[2,3-dichloro-4-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]phenyl]ethyl]phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
InChI	InChI=1S/C48H56Cl4N6O4/c1-32(37-12-14-41(47(51)45(37)49)57-24-20-55(21-25-57)18-2-4-28-61-35-10-6-33-8-16-43(59)53-39(33)30-35)38-13-15-42(48(52)46(38)50)58-26-22-56(23-27-58)19-3-5-29-62-36-11-7-34-9-17-44(60)54-40(34)31-36/h6-7,10-15,30-32H,2-5,8-9,16-29H2,1H3,(H,53,59)(H,54,60)
InChI Key	SYZDOGGVENFNDJ-UHFFFAOYSA-N
MDL Number	MFCD28143526
Molecular Formula	C48H56Cl4N6O4
Molecular Weight	922.8080
SMILES	O=C2CCC1=C(N2)C=C(OCCCCN3CCN(C4=CC=C(C(C)C5=CC=C(N6CCN(CCCCOC8=CC(N7)=C(C=C8)CCC7=O)CC6)C(Cl)=C5Cl)C(Cl)=C4Cl)CC3)C=C1
Synonyms	Aripiprazole Dimer, 1797986-18-5, 7,7'-[Ethylidenebis(2,3-dichloro-1,4-phenylene)bis(1,4-piperazinediyl)bis(tetramethyleneoxy)]bis(1,2,3,4-tetrahydroquinoline-2-one),

Complexity	1320
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	922.309g/mol
Formal Charge	0
Heavy Atom Count	62
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	922.814g/mol
Monoisotopic Mass	920.312g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	89.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	9.6

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited