Iloperidone metabolite P95

CAT: 0931-T36661-01Size: 500 µgDry Ice: NoHazardous: No

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CAT#:0931-T36661-01Size:500 µg

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CAS Number

475110-48-6

Target

Others, 5-HT Receptor, Dopamine Receptor, Adrenergic Receptor

Related Pathways

Neuroscience, GPCR/G Protein, Others

Bioactivity

Iloperidone metabolite P95 is a metabolite of the atypical antipsychotic iloperidone . It binds to the serotonin (5-HT) receptor subtype 5-HT2A and α1-, α2B-, and α2C-adrenergic receptors with mean Ki values of 7.08, 21.38, 83.18, and 47.86 nM, respectively, but does not cross the blood-brain barrier.

Smiles

COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(O)=O

Molecular Formula

C23H25FN2O5

Molecular Weight

428.46

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Iloperidone metabolite P95

CAS Number	475110-48-6
PubChem CID	23786476
IUPAC Name	4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxybenzoic acid
Molecular Formula	C23H25FN2O5
Molecular Weight	428.5
XLogP	1.7
Topological Polar Surface Area	85
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	31
Formal Charge	0
Complexity	588

SMILES

COC1=C(C=CC(=C1)C(=O)O)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F

InChI

InChI=1S/C23H25FN2O5/c1-29-21-13-16(23(27)28)3-6-19(21)30-12-2-9-26-10-7-15(8-11-26)22-18-5-4-17(24)14-20(18)31-25-22/h3-6,13-15H,2,7-12H2,1H3,(H,27,28)

InChIKey

AXUKEZOJOPXXTB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 475110-48-6

CID: 23786476

Formula: C23H25FN2O5

MW: 428.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	428.5
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	428.17475006
Monoisotopic Mass	428.17475006
Topological Polar Surface Area	85 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	588
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

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Catalog	Name
T11637	Iloperidone metabolite Hydroxy Iloperidone
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T11445-01	GNF179 (Metabolite)
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T12229-01	Niraparib metabolite M1
T70178-01	Sonidegib metabolite M25

Alternative Products

Catalog	Name
MBS5753318	Iloperidone metabolite Hydroxy Iloperidone
HY-G0003R	Iloperidone metabolite Hydroxy Iloperidone (Standard)
HY-G0003S1	Iloperidone metabolite Hydroxy Iloperidone-d3
574203	Iloperidone metabolite P88
AR-I01250-01	Iloperidone Metabolite P95
AR-I01251-01	Iloperidone-d3 metabolite P95
AR-I01249-01	Iloperidone-d3 metabolite P88
HY-154757S	Iloperidone metabolite P88-d3
AR-I01258-01	Iloperidone Metabolite P88 Glucuronide
CS-SN-00045	Iloperidone-13C-d3 Metabolite P88

Iloperidone metabolite P95

Chemical Information

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