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Iloperidone metabolite Hydroxy Iloperidone

CAT: 0931-T11637Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T11637Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
133454-55-4
Target
Others, Drug Metabolite
Related Pathways
Metabolism, Others
Bioactivity
Iloperidone metabolite Hydroxy Iloperidone is an atypical antipsychotic. It is a metabolite of Iloperidone.
Smiles
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)O
Molecular Formula
C24H29FN2O4
Molecular Weight
428.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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Alternative Products

CatalogName
MBS5753318Iloperidone metabolite Hydroxy Iloperidone
HY-G0003RIloperidone metabolite Hydroxy Iloperidone (Standard)
HY-G0003S1Iloperidone metabolite Hydroxy Iloperidone-d3
574203Iloperidone metabolite P88
AR-I01250-01Iloperidone Metabolite P95
013583Hydroxy Iloperidone
AR-I01251-01Iloperidone-d3 metabolite P95
AR-I01249-01Iloperidone-d3 metabolite P88
HY-154757SIloperidone metabolite P88-d3
AR-I01258-01Iloperidone Metabolite P88 Glucuronide

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