Iloperidone metabolite P95
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MedKoo CAT#: 574220

CAS#: 475110-48-6

Description: 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 but does not cross the blood-brain barrier.


Chemical Structure

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Iloperidone metabolite P95
CAS# 475110-48-6

Theoretical Analysis

MedKoo Cat#: 574220
Name: Iloperidone metabolite P95
CAS#: 475110-48-6
Chemical Formula: C23H25FN2O5
Exact Mass: 428.1748
Molecular Weight: 428.46
Elemental Analysis: C, 64.48; H, 5.88; F, 4.43; N, 6.54; O, 18.67

Price and Availability

Size Price Availability Quantity
1.0mg USD 230.0 2 Weeks
5.0mg USD 490.0 2 Weeks
10.0mg USD 750.0 2 Weeks
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Synonym: Iloperidone metabolite P95, P95-12113

IUPAC/Chemical Name: 4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxy-benzoic acid

InChi Key: AXUKEZOJOPXXTB-UHFFFAOYSA-N

InChi Code: 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)

SMILES Code: O=C(O)C1=CC=C(OCCCN2CCC(C3=NOC4=C3C=CC(F)=C4)CC2)C(OC)=C1

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 428.46 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1. Subramanian, N., and Kalkman, H.O. Receptor profile of P88-8991 and P95-12113, metabolites of the novel antipsychotic iloperidone. Prog. Neuropsychopharmacol. Biol. Psychiatry 26(3), 553-560 (2002).

2. Jia, M., Li, J., He, X., et al. Simultaneous determination of iloperidone and its two active metabolites in human plasma by liquid chromatography-tandem mass spectrometry: Application to a pharmacokinetic study. J. Chromatogr. B Analyt. Technol. Biomed. Life Sci. 928, 52-57 (2013).