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Iclepertin

CAT: 0013-GTR19190893-09Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190893-09Size:200 mg
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Description
Iclepertin
CAS Number
1421936-85-7
Product Name Alternative
Iclepertin, GlyT1, BI-425809
Field of Research
Neuroscience
Purity
98.89% (May vary between batches)
Smiles
[H][C@@]12C[C@@]1 (CN (C2) C (=O) c1cc (ccc1O[C@H] (C) C (F) (F) F) S (C) (=O) =O) c1cc (on1) C (F) (F) F
Molecular Formula
C20H18F6N2O5S
Molecular Weight
512.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Iclepertin

Iclepertin is under investigation in clinical trial NCT05211947 (A Study to Test Long-term Safety of Iclepertin in People With Schizophrenia Who Took Part in a Previous CONNEX Study).

CAS Number1421936-85-7
PubChem CID155259577
IUPAC Name[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
Molecular FormulaC20H18F6N2O5S
Molecular Weight512.4
XLogP3.5
Topological Polar Surface Area98.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity907
SMILES
C[C@H](C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2C[C@@H]3C[C@@]3(C2)C4=NOC(=C4)C(F)(F)F
InChI
InChI=1S/C20H18F6N2O5S/c1-10(19(21,22)23)32-14-4-3-12(34(2,30)31)5-13(14)17(29)28-8-11-7-18(11,9-28)15-6-16(33-27-15)20(24,25)26/h3-6,10-11H,7-9H2,1-2H3/t10-,11+,18+/m1/s1
InChIKey
MYHDQTVHHMSLEF-DDBGAENHSA-N
Chemical Structure
2D Structure
2D structure of Iclepertin
CAS: 1421936-85-7
CID: 155259577
Formula: C20H18F6N2O5S
MW: 512.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.4
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass512.08406182
Monoisotopic Mass512.08406182
Topological Polar Surface Area98.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity907
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
RG-A262419-01Iclepertin

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