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Iloperidone-d3

CAT: 0926-WSB16882-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-WSB16882-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1071168-82-5
Smiles
CC (=O) C1=CC (=C (C=C1) OCCCN2CCC (CC2) C3=NOC4=C3C=CC (=C4) F) OC
Molecular Formula
C24H27FN2O4
Molecular Weight
429.5 g/mol
Controlled
No

Chemical Information

CID 131668282
CAS Number1071168-82-5
PubChem CID131668282
IUPAC Name2,2,2-trideuterio-1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
Molecular FormulaC24H27FN2O4
Molecular Weight429.5
XLogP4.1
Topological Polar Surface Area64.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity586
SMILES
[2H]C([2H])([2H])C(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC
InChI
InChI=1S/C24H27FN2O4/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/h4-7,14-15,17H,3,8-13H2,1-2H3/i1D3
InChIKey
XMXHEBAFVSFQEX-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of CID 131668282
CAS: 1071168-82-5
CID: 131668282
Formula: C24H27FN2O4
MW: 429.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.5
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass429.21431575
Monoisotopic Mass429.21431575
Topological Polar Surface Area64.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity586
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-17410S-01Iloperidone-d3
HY-G0003S1Iloperidone metabolite Hydroxy Iloperidone-d3
CS-O-06672Iloperidone-P88, d3
HY-17410S2Iloperidone-13C, d3
AR-I01245-01Iloperidone-13C-d3
HY-17410S1Iloperidone-d3 (hydrochloride)
AR-I01251-01Iloperidone-d3 metabolite P95
166179(R) -Hydroxy Iloperidone-d3
sc-490759(S) -Hydroxy Iloperidone-d3
sc-488068Iloperidone Carboxylic Acid-d3

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