2-Deschloro aripiprazole

CAT: 0926-ID171125-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-ID171125-01Size:10 mg

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CAS Number

203395-82-8

Synonyms

7-[4-[4- (3-Chlorophenyl) -1-piperazinyl]butoxy]-3,4-dihydro-2 (1H) -quinolinone

Smiles

C1CC (=O) NC2=C1C=CC (=C2) OCCCCN3CCN (CC3) C4=CC (=CC=C4) Cl

Molecular Formula

C23H28ClN3O2

Molecular Weight

413.94 g/mol

Controlled

Chemical Information

2-Deschloro Aripiprazole

CAS Number	203395-82-8
PubChem CID	10573806
IUPAC Name	7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Molecular Formula	C23H28ClN3O2
Molecular Weight	413.9
XLogP	4
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	29
Formal Charge	0
Complexity	526

SMILES

C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H28ClN3O2/c24-19-4-3-5-20(16-19)27-13-11-26(12-14-27)10-1-2-15-29-21-8-6-18-7-9-23(28)25-22(18)17-21/h3-6,8,16-17H,1-2,7,9-15H2,(H,25,28)

InChIKey

SHHUSQIOAKPGMO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 203395-82-8

CID: 10573806

Formula: C23H28ClN3O2

MW: 413.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	413.9
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	413.1870048
Monoisotopic Mass	413.1870048
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	526
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ID171124-01	Deschloro aripiprazole
FA17978-01	Aripiprazole
SHA43946-01	Deschloro-2-phenylthio-thiamethoxam
IA171126-01	Aripiprazole dimer
BJB22085-01	Aripiprazole monohydrate
FA176243-01	Aripiprazole lauroxil
PTB11506-01	Aripiprazole-d8
FD21153-01	Deschloro atovaquone
YDC04661-01	Deschloro-zopiclone
FD21155	Deschloro clomiphene

Catalog	Name
MBS6044658-01	2-Deschloro Aripiprazole
TRC-D289195-250MG	Deschloro Aripiprazole
sc-500460	2-Deschloro Aripiprazole-d8
RM-A181602-01	Aripiprazole Impurity 2
CS-O-58424	Aripiprazole Nitroso Impurity 2
AR-A07086-01	Aripiprazole Impurity 31 (2,6-quinolinediol)
TRC-B246350-100MG	Butyl-4-(2,3-dichlorophenyl)piperazine Aripiprazole
TRC-B809315-10MG	N-(7-Butoxy-3,4-dihydroquinolin-2(1H)-one) Aripiprazole Bromide
457348-01	N- (7-Butoxy-3,4-dihydroquinolin-2 (1H) -one) Aripiprazole Bromide
408634-01	1-[4-[ (1,2,3,4-Tetrahydro-2-oxo-7-quinolinyl) oxy]butyl] Aripiprazole