6-Desfluoro-6-methoxy risperidone

CAT: 0024-sc-499492Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-499492Size:1 mg

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CAS Number

1246817-15-1

Chemical Information

6-Desfluoro-6-methoxy Risperidone

CAS Number	1246817-15-1
PubChem CID	71315667
IUPAC Name	3-[2-[4-(6-methoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular Formula	C24H30N4O3
Molecular Weight	422.5
XLogP	2.6
Topological Polar Surface Area	71.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	31
Formal Charge	0
Complexity	743

SMILES

CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)OC

InChI

InChI=1S/C24H30N4O3/c1-16-19(24(29)28-11-4-3-5-22(28)25-16)10-14-27-12-8-17(9-13-27)23-20-7-6-18(30-2)15-21(20)31-26-23/h6-7,15,17H,3-5,8-14H2,1-2H3

InChIKey

DGIQBNGKAIWZIU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1246817-15-1

CID: 71315667

Formula: C24H30N4O3

MW: 422.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	422.5
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	422.23179083
Monoisotopic Mass	422.23179083
Topological Polar Surface Area	71.2 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	743
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
sc-207112	6-Desfluoro-6-hydroxy Risperidone
sc-391843	Desfluoro Risperidone
sc-500446	6-Desfluoro Rufinamide
sc-470780	6-Methyl Risperidone
sc-204881A	Risperidone
sc-204881C	Risperidone
sc-204881	Risperidone
sc-204881B	Risperidone
sc-218816	Methyl 5,6,7,8-Tetradehydro Risperidone
sc-344896	3-methoxy-6- (6-methoxy-3-pyridyl) pyridazine

Catalog	Name
008419	6-Desfluoro-6-hydroxy Risperidone
271585-01	Desfluoro risperidone
TRC-M326330-50MG	6-Methyl Risperidone
TRC-D455630-100MG	3,6-Dihydro Risperidone
AR-R01702-01	5,6,7,8-Tetradehydro Risperidone
FM25447	Methyl 5,6,7,8-tetradehydro risperidone
445849	De (6-Fluoro-3- (piperidin-4-yl) benzo[d]isoxazole) 9-Hydroxy-1-chloro Risperidone-d4
TRC-D229337-25MG	De(6-Fluoro-3-(piperidin-4-yl)benzo[d]isoxazole) 9-Hydroxy-1-chloro Risperidone-d4
011359	3-Ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (Risperidone Impurity)
TRC-I384772-100MG	(E)-1,5-seco-Isoxazolo,1H,5-(6-Fluoro-1,2-benzisoxazol-3-yl)-piperidin-1-yl] Risperidone