Aripiprazole Dimer - CAS 1797986-18-5

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Catalog Number: R040610

CAS Number: 1797986-18-5

PubChem Substance ID:355145058

Molecular Formula: C48H56Cl4N6O4

Molecular Weight:922.814

Purity: ≥95%

* For research use only. Not for human or veterinary use.


Property

Molecular Formula: C48H56Cl4N6O4
Molecular Weight922.814
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Name7-[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
InChIInChI=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)
InChIKeySYZDOGGVENFNDJ-UHFFFAOYSA-N
SMILESCC(C1=C(C(=C(C=C1)N2CCN(CC2)CCCCOC3=CC4=C(CCC(=O)N4)C=C3)Cl)Cl)C5=C(C(=C(C=C5)N6CCN(CC6)CCCCOC7=CC8=C(CCC(=O)N8)C=C7)Cl)Cl