Iclepertin

CAT: 0013-GTR19190893-03Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19190893-03Size:5 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 Number	1421936-85-7
PubChem CID	155259577
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 Formula	C20H18F6N2O5S
Molecular Weight	512.4
XLogP	3.5
Topological Polar Surface Area	98.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Heavy Atom Count	34
Formal Charge	0
Complexity	907

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

CAS: 1421936-85-7

CID: 155259577

Formula: C20H18F6N2O5S

MW: 512.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	512.4
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Exact Mass	512.08406182
Monoisotopic Mass	512.08406182
Topological Polar Surface Area	98.1 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	907
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
E4685-01	Iclepertin

Iclepertin

Chemical Information

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