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Iloperidone metabolite Hydroxy Iloperidone

CAT: 0804-HY-G0003-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-G0003-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Iloperidone metabolite Hydroxy Iloperidone (P88; Hydroxy Iloperidone) is a metabolite of Iloperidone, which is an atypical antipsychotic.
CAS Number
133454-55-4
Product Name Alternative
P88; Hydroxy Iloperidone
UNSPSC
12352005
Hazard Statement
H302
Target
Drug Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/Iloperidone-metabolite-Hydroxy-Iloperidone.html
Purity
99.97
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
OC(C)C1=CC=C(OCCCN2CCC(C3=NOC4=C3C=CC(F)=C4)CC2)C(OC)=C1
Molecular Formula
C24H29FN2O4
Molecular Weight
428.50
Precautions
H302
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

P-88-8991
CAS Number133454-55-4
PubChem CID9823904
IUPAC Name1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanol
Molecular FormulaC24H29FN2O4
Molecular Weight428.5
XLogP3.9
Topological Polar Surface Area68
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity548
SMILES
CC(C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC)O
InChI
InChI=1S/C24H29FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-17,28H,3,8-13H2,1-2H3
InChIKey
SBKZGLWZGZQVHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of P-88-8991
CAS: 133454-55-4
CID: 9823904
Formula: C24H29FN2O4
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass428.21113557
Monoisotopic Mass428.21113557
Topological Polar Surface Area68 Ų
Heavy Atom Count31
Formal Charge0
Complexity548
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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HY-17410AIloperidone (hydrochloride)
HY-17410R-01Iloperidone (Standard)
HY-W741575-01Iloperidone carboxylic acid
HY-17410S2Iloperidone-13C, d3
HY-17410S1Iloperidone-d3 (hydrochloride)
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Alternative Products

CatalogName
MBS5753318Iloperidone metabolite Hydroxy Iloperidone
T36661-01Iloperidone metabolite P95
574203Iloperidone metabolite P88
013583Hydroxy Iloperidone
AR-I01251-01Iloperidone-d3 metabolite P95
AR-I01249-01Iloperidone-d3 metabolite P88
AR-I01258-01Iloperidone Metabolite P88 Glucuronide
013584-01Hydroxy Iloperidone-d4
sc-490572(R) -Hydroxy Iloperidone
sc-490573(S) -Hydroxy Iloperidone

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